mirror of https://gitlab.com/QEF/q-e.git
31329 lines
1.1 MiB
31329 lines
1.1 MiB
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Program PWSCF v.7.0 starts on 15Feb2022 at 14:12:44
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 1 processors
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MPI processes distributed on 1 nodes
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3418 MiB available memory on the printing compute node when the environment starts
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Waiting for input...
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Reading input from standard input
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Current dimensions of program PWSCF are:
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Max number of different atomic species (ntypx) = 10
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Max number of k-points (npk) = 40000
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Max angular momentum in pseudopotentials (lmaxx) = 4
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation= HSE
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( 1 4 12 4 0 0 0)
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EXX-fraction = 0.25
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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--- Additional k-points: ---
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A request of 72 k-points with zero weight added to list
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Furthermore, 576 k-points where added to perform EXX calculation
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first= 3, last= 74
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Subspace diagonalization in iterative solution of the eigenvalue problem:
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a serial algorithm will be used
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EXX: q-point mesh: 2 2 2
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EXX: setup a grid of 552 q-points centered on each k-point
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(k+q)-points:
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-0.2500000 0.2500000 0.2500000 1 1
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0.2500000 -0.2500000 0.7500000 2 1
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-0.7500000 -0.2500000 -0.2500000 373 4
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-0.2500000 -0.7500000 0.2500000 85 4
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0.2500000 0.7500000 -0.2500000 85 -4
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0.7500000 0.2500000 0.2500000 373 -4
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-0.2500000 0.2500000 -0.7500000 2 -1
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0.2500000 -0.2500000 -0.2500000 1 -1
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0.5000000 0.5000000 0.5000000 3 1
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0.0000000 1.0000000 0.0000000 43 1
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0.0000000 0.0000000 0.0000000 23 1
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-0.5000000 0.5000000 -0.5000000 95 1
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1.0000000 1.0000000 0.0000000 44 1
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0.5000000 1.5000000 -0.5000000 116 1
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1.5000000 1.5000000 0.5000000 188 1
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1.0000000 2.0000000 0.0000000 260 1
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0.4750000 0.4750000 0.4750000 4 1
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-0.0250000 0.9750000 -0.0250000 76 1
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-0.0250000 -0.0250000 -0.0250000 22 -1
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0.4750000 -0.5250000 0.4750000 94 -1
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-0.0250000 -0.0250000 0.9750000 292 1
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-0.5250000 0.4750000 0.4750000 364 1
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0.4750000 0.4750000 -0.5250000 310 -1
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0.9750000 -0.0250000 -0.0250000 382 -1
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0.4500000 0.4500000 0.4500000 5 1
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-0.0500000 0.9500000 -0.0500000 77 1
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-0.0500000 -0.0500000 -0.0500000 21 -1
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0.4500000 -0.5500000 0.4500000 93 -1
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-0.0500000 -0.0500000 0.9500000 293 1
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-0.5500000 0.4500000 0.4500000 365 1
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0.4500000 0.4500000 -0.5500000 309 -1
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0.9500000 -0.0500000 -0.0500000 381 -1
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0.4250000 0.4250000 0.4250000 6 1
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-0.0750000 0.9250000 -0.0750000 78 1
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-0.0750000 -0.0750000 -0.0750000 20 -1
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0.4250000 -0.5750000 0.4250000 92 -1
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-0.0750000 -0.0750000 0.9250000 294 1
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-0.5750000 0.4250000 0.4250000 366 1
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0.4250000 0.4250000 -0.5750000 308 -1
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0.9250000 -0.0750000 -0.0750000 380 -1
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0.4000000 0.4000000 0.4000000 7 1
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-0.1000000 0.9000000 -0.1000000 79 1
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-0.1000000 -0.1000000 -0.1000000 19 -1
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0.4000000 -0.6000000 0.4000000 91 -1
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-0.1000000 -0.1000000 0.9000000 295 1
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-0.6000000 0.4000000 0.4000000 367 1
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0.4000000 0.4000000 -0.6000000 307 -1
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0.9000000 -0.1000000 -0.1000000 379 -1
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0.3750000 0.3750000 0.3750000 8 1
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-0.1250000 0.8750000 -0.1250000 80 1
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-0.1250000 -0.1250000 -0.1250000 18 -1
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0.3750000 -0.6250000 0.3750000 90 -1
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-0.1250000 -0.1250000 0.8750000 296 1
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-0.6250000 0.3750000 0.3750000 368 1
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0.3750000 0.3750000 -0.6250000 306 -1
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0.8750000 -0.1250000 -0.1250000 378 -1
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0.3500000 0.3500000 0.3500000 9 1
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-0.1500000 0.8500000 -0.1500000 81 1
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-0.1500000 -0.1500000 -0.1500000 17 -1
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0.3500000 -0.6500000 0.3500000 89 -1
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-0.1500000 -0.1500000 0.8500000 297 1
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-0.6500000 0.3500000 0.3500000 369 1
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0.3500000 0.3500000 -0.6500000 305 -1
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0.8500000 -0.1500000 -0.1500000 377 -1
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0.3250000 0.3250000 0.3250000 10 1
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-0.1750000 0.8250000 -0.1750000 82 1
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-0.1750000 -0.1750000 -0.1750000 16 -1
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0.3250000 -0.6750000 0.3250000 88 -1
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-0.1750000 -0.1750000 0.8250000 298 1
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-0.6750000 0.3250000 0.3250000 370 1
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0.3250000 0.3250000 -0.6750000 304 -1
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0.8250000 -0.1750000 -0.1750000 376 -1
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0.3000000 0.3000000 0.3000000 11 1
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-0.2000000 0.8000000 -0.2000000 83 1
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-0.2000000 -0.2000000 -0.2000000 15 -1
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0.3000000 -0.7000000 0.3000000 87 -1
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-0.2000000 -0.2000000 0.8000000 299 1
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-0.7000000 0.3000000 0.3000000 371 1
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0.3000000 0.3000000 -0.7000000 303 -1
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0.8000000 -0.2000000 -0.2000000 375 -1
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0.2750000 0.2750000 0.2750000 12 1
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-0.2250000 0.7750000 -0.2250000 84 1
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-0.2250000 -0.2250000 -0.2250000 14 -1
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0.2750000 -0.7250000 0.2750000 86 -1
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-0.2250000 -0.2250000 0.7750000 300 1
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-0.7250000 0.2750000 0.2750000 372 1
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0.2750000 0.2750000 -0.7250000 302 -1
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0.7750000 -0.2250000 -0.2250000 374 -1
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0.2500000 0.2500000 0.2500000 13 1
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-0.2500000 0.7500000 -0.2500000 85 1
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-0.2500000 -0.2500000 -0.2500000 13 -1
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0.2500000 -0.7500000 0.2500000 85 -1
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-0.2500000 -0.2500000 0.7500000 301 1
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-0.7500000 0.2500000 0.2500000 373 1
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0.2500000 0.2500000 -0.7500000 301 -1
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0.7500000 -0.2500000 -0.2500000 373 -1
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0.2250000 0.2250000 0.2250000 14 1
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-0.2750000 0.7250000 -0.2750000 86 1
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-0.2750000 -0.2750000 -0.2750000 12 -1
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0.2250000 -0.7750000 0.2250000 84 -1
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-0.2750000 -0.2750000 0.7250000 302 1
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-0.7750000 0.2250000 0.2250000 374 1
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0.2250000 0.2250000 -0.7750000 300 -1
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0.7250000 -0.2750000 -0.2750000 372 -1
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0.2000000 0.2000000 0.2000000 15 1
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-0.3000000 0.7000000 -0.3000000 87 1
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-0.3000000 -0.3000000 -0.3000000 11 -1
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0.2000000 -0.8000000 0.2000000 83 -1
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-0.3000000 -0.3000000 0.7000000 303 1
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-0.8000000 0.2000000 0.2000000 375 1
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0.2000000 0.2000000 -0.8000000 299 -1
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0.7000000 -0.3000000 -0.3000000 371 -1
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0.1750000 0.1750000 0.1750000 16 1
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-0.3250000 0.6750000 -0.3250000 88 1
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-0.3250000 -0.3250000 -0.3250000 10 -1
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0.1750000 -0.8250000 0.1750000 82 -1
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-0.3250000 -0.3250000 0.6750000 304 1
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-0.8250000 0.1750000 0.1750000 376 1
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0.1750000 0.1750000 -0.8250000 298 -1
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0.6750000 -0.3250000 -0.3250000 370 -1
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0.1500000 0.1500000 0.1500000 17 1
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-0.3500000 0.6500000 -0.3500000 89 1
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-0.3500000 -0.3500000 -0.3500000 9 -1
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0.1500000 -0.8500000 0.1500000 81 -1
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-0.3500000 -0.3500000 0.6500000 305 1
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-0.8500000 0.1500000 0.1500000 377 1
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0.1500000 0.1500000 -0.8500000 297 -1
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0.6500000 -0.3500000 -0.3500000 369 -1
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0.1250000 0.1250000 0.1250000 18 1
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-0.3750000 0.6250000 -0.3750000 90 1
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-0.3750000 -0.3750000 -0.3750000 8 -1
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0.1250000 -0.8750000 0.1250000 80 -1
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-0.3750000 -0.3750000 0.6250000 306 1
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-0.8750000 0.1250000 0.1250000 378 1
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0.1250000 0.1250000 -0.8750000 296 -1
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0.6250000 -0.3750000 -0.3750000 368 -1
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0.1000000 0.1000000 0.1000000 19 1
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-0.4000000 0.6000000 -0.4000000 91 1
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-0.4000000 -0.4000000 -0.4000000 7 -1
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0.1000000 -0.9000000 0.1000000 79 -1
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-0.4000000 -0.4000000 0.6000000 307 1
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-0.9000000 0.1000000 0.1000000 379 1
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0.1000000 0.1000000 -0.9000000 295 -1
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0.6000000 -0.4000000 -0.4000000 367 -1
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0.0750000 0.0750000 0.0750000 20 1
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-0.4250000 0.5750000 -0.4250000 92 1
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-0.4250000 -0.4250000 -0.4250000 6 -1
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0.0750000 -0.9250000 0.0750000 78 -1
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-0.4250000 -0.4250000 0.5750000 308 1
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-0.9250000 0.0750000 0.0750000 380 1
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0.0750000 0.0750000 -0.9250000 294 -1
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0.5750000 -0.4250000 -0.4250000 366 -1
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0.0500000 0.0500000 0.0500000 21 1
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-0.4500000 0.5500000 -0.4500000 93 1
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-0.4500000 -0.4500000 -0.4500000 5 -1
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0.0500000 -0.9500000 0.0500000 77 -1
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-0.4500000 -0.4500000 0.5500000 309 1
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-0.9500000 0.0500000 0.0500000 381 1
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0.0500000 0.0500000 -0.9500000 293 -1
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0.5500000 -0.4500000 -0.4500000 365 -1
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0.0250000 0.0250000 0.0250000 22 1
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-0.4750000 0.5250000 -0.4750000 94 1
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-0.4750000 -0.4750000 -0.4750000 4 -1
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0.0250000 -0.9750000 0.0250000 76 -1
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|
-0.4750000 -0.4750000 0.5250000 310 1
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-0.9750000 0.0250000 0.0250000 382 1
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0.0250000 0.0250000 -0.9750000 292 -1
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0.5250000 -0.4750000 -0.4750000 364 -1
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0.0000000 0.0500000 0.0000000 24 1
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-0.5000000 0.5500000 -0.5000000 96 1
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0.5000000 -1.4500000 0.5000000 114 -1
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0.0000000 -0.9500000 0.0000000 42 -1
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-0.5000000 -0.4500000 0.5000000 312 1
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-1.0000000 0.0500000 0.0000000 384 1
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1.0000000 -0.9500000 0.0000000 402 -1
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0.5000000 -0.4500000 -0.5000000 330 -1
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0.0000000 0.1000000 0.0000000 25 1
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-0.5000000 0.6000000 -0.5000000 97 1
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0.5000000 -1.4000000 0.5000000 113 -1
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0.0000000 -0.9000000 0.0000000 41 -1
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-0.5000000 -0.4000000 0.5000000 313 1
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-1.0000000 0.1000000 0.0000000 385 1
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1.0000000 -0.9000000 0.0000000 401 -1
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0.5000000 -0.4000000 -0.5000000 329 -1
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0.0000000 0.1500000 0.0000000 26 1
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-0.5000000 0.6500000 -0.5000000 98 1
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0.5000000 -1.3500000 0.5000000 112 -1
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0.0000000 -0.8500000 0.0000000 40 -1
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-0.5000000 -0.3500000 0.5000000 314 1
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-1.0000000 0.1500000 0.0000000 386 1
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1.0000000 -0.8500000 0.0000000 400 -1
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0.5000000 -0.3500000 -0.5000000 328 -1
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0.0000000 0.2000000 0.0000000 27 1
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-0.5000000 0.7000000 -0.5000000 99 1
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0.5000000 -1.3000000 0.5000000 111 -1
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0.0000000 -0.8000000 0.0000000 39 -1
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-0.5000000 -0.3000000 0.5000000 315 1
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-1.0000000 0.2000000 0.0000000 387 1
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1.0000000 -0.8000000 0.0000000 399 -1
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0.5000000 -0.3000000 -0.5000000 327 -1
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0.0000000 0.2500000 0.0000000 28 1
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-0.5000000 0.7500000 -0.5000000 100 1
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0.5000000 -1.2500000 0.5000000 110 -1
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0.0000000 -0.7500000 0.0000000 38 -1
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-0.5000000 -0.2500000 0.5000000 316 1
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-1.0000000 0.2500000 0.0000000 388 1
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1.0000000 -0.7500000 0.0000000 398 -1
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0.5000000 -0.2500000 -0.5000000 326 -1
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0.0000000 0.3000000 0.0000000 29 1
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-0.5000000 0.8000000 -0.5000000 101 1
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0.5000000 -1.2000000 0.5000000 109 -1
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0.0000000 -0.7000000 0.0000000 37 -1
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-0.5000000 -0.2000000 0.5000000 317 1
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-1.0000000 0.3000000 0.0000000 389 1
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1.0000000 -0.7000000 0.0000000 397 -1
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0.5000000 -0.2000000 -0.5000000 325 -1
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0.0000000 0.3500000 0.0000000 30 1
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0.5000000 -1.1500000 0.5000000 108 -1
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0.0000000 -0.6500000 0.0000000 36 -1
|
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-0.5000000 -0.1500000 0.5000000 318 1
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-1.0000000 0.3500000 0.0000000 390 1
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1.0000000 -0.6500000 0.0000000 396 -1
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0.5000000 -0.1500000 -0.5000000 324 -1
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0.0000000 0.4000000 0.0000000 31 1
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-0.5000000 0.9000000 -0.5000000 103 1
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0.5000000 -1.1000000 0.5000000 107 -1
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0.0000000 -0.6000000 0.0000000 35 -1
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-1.0000000 0.4000000 0.0000000 391 1
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1.0000000 -0.6000000 0.0000000 395 -1
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0.5000000 -0.1000000 -0.5000000 323 -1
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0.0000000 0.4500000 0.0000000 32 1
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0.5000000 -1.0500000 0.5000000 106 -1
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0.0000000 -0.5500000 0.0000000 34 -1
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1.0000000 -0.5500000 0.0000000 394 -1
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0.5000000 -0.0500000 -0.5000000 322 -1
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0.0000000 0.5000000 0.0000000 33 1
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0.5000000 -1.0000000 0.5000000 105 -1
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1.0000000 -0.5000000 0.0000000 393 -1
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0.5000000 0.0000000 -0.5000000 321 -1
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0.0000000 0.5500000 0.0000000 34 1
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0.0000000 -0.4500000 0.0000000 32 -1
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-1.0000000 0.5500000 0.0000000 394 1
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1.0000000 -0.4500000 0.0000000 392 -1
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0.5000000 0.0500000 -0.5000000 320 -1
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0.0000000 0.6000000 0.0000000 35 1
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0.5000000 -0.9000000 0.5000000 103 -1
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0.0000000 -0.4000000 0.0000000 31 -1
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-0.5000000 0.1000000 0.5000000 323 1
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-1.0000000 0.6000000 0.0000000 395 1
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1.0000000 -0.4000000 0.0000000 391 -1
|
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0.5000000 0.1000000 -0.5000000 319 -1
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0.0000000 0.6500000 0.0000000 36 1
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-0.5000000 1.1500000 -0.5000000 108 1
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0.5000000 -0.8500000 0.5000000 102 -1
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0.0000000 -0.3500000 0.0000000 30 -1
|
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-0.5000000 0.1500000 0.5000000 324 1
|
|
-1.0000000 0.6500000 0.0000000 396 1
|
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1.0000000 -0.3500000 0.0000000 390 -1
|
|
0.5000000 0.1500000 -0.5000000 318 -1
|
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0.0000000 0.7000000 0.0000000 37 1
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|
-0.5000000 1.2000000 -0.5000000 109 1
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0.5000000 -0.8000000 0.5000000 101 -1
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0.0000000 -0.3000000 0.0000000 29 -1
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-0.5000000 0.2000000 0.5000000 325 1
|
|
-1.0000000 0.7000000 0.0000000 397 1
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|
1.0000000 -0.3000000 0.0000000 389 -1
|
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0.5000000 0.2000000 -0.5000000 317 -1
|
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0.0000000 0.7500000 0.0000000 38 1
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0.5000000 -0.7500000 0.5000000 100 -1
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0.0000000 -0.2500000 0.0000000 28 -1
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|
-0.5000000 0.2500000 0.5000000 326 1
|
|
-1.0000000 0.7500000 0.0000000 398 1
|
|
1.0000000 -0.2500000 0.0000000 388 -1
|
|
0.5000000 0.2500000 -0.5000000 316 -1
|
|
0.0000000 0.8000000 0.0000000 39 1
|
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|
|
0.5000000 -0.7000000 0.5000000 99 -1
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|
0.0000000 -0.2000000 0.0000000 27 -1
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|
-0.5000000 0.3000000 0.5000000 327 1
|
|
-1.0000000 0.8000000 0.0000000 399 1
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1.0000000 -0.2000000 0.0000000 387 -1
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|
0.5000000 0.3000000 -0.5000000 315 -1
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|
0.0000000 0.8500000 0.0000000 40 1
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|
-0.5000000 1.3500000 -0.5000000 112 1
|
|
0.5000000 -0.6500000 0.5000000 98 -1
|
|
0.0000000 -0.1500000 0.0000000 26 -1
|
|
-0.5000000 0.3500000 0.5000000 328 1
|
|
-1.0000000 0.8500000 0.0000000 400 1
|
|
1.0000000 -0.1500000 0.0000000 386 -1
|
|
0.5000000 0.3500000 -0.5000000 314 -1
|
|
0.0000000 0.9000000 0.0000000 41 1
|
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-0.5000000 1.4000000 -0.5000000 113 1
|
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0.5000000 -0.6000000 0.5000000 97 -1
|
|
0.0000000 -0.1000000 0.0000000 25 -1
|
|
-0.5000000 0.4000000 0.5000000 329 1
|
|
-1.0000000 0.9000000 0.0000000 401 1
|
|
1.0000000 -0.1000000 0.0000000 385 -1
|
|
0.5000000 0.4000000 -0.5000000 313 -1
|
|
0.0000000 0.9500000 0.0000000 42 1
|
|
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0.5000000 -0.5500000 0.5000000 96 -1
|
|
0.0000000 -0.0500000 0.0000000 24 -1
|
|
-0.5000000 0.4500000 0.5000000 330 1
|
|
-1.0000000 0.9500000 0.0000000 402 1
|
|
1.0000000 -0.0500000 0.0000000 384 -1
|
|
0.5000000 0.4500000 -0.5000000 312 -1
|
|
0.9666667 0.9666667 0.0000000 45 1
|
|
0.4666667 1.4666667 -0.5000000 117 1
|
|
1.4666667 1.4666667 0.5000000 189 1
|
|
0.9666667 1.9666667 0.0000000 261 1
|
|
-0.5333333 -0.5333333 -0.5000000 217 -1
|
|
-0.0333333 -1.0333333 0.0000000 289 -1
|
|
-0.0333333 -0.0333333 0.0000000 73 -1
|
|
0.4666667 -0.5333333 0.5000000 145 -1
|
|
0.9333333 0.9333333 0.0000000 46 1
|
|
0.4333333 1.4333333 -0.5000000 118 1
|
|
1.4333333 1.4333333 0.5000000 190 1
|
|
0.9333333 1.9333333 0.0000000 262 1
|
|
-0.5666667 -0.5666667 -0.5000000 216 -1
|
|
-0.0666667 -1.0666667 0.0000000 288 -1
|
|
-0.0666667 -0.0666667 0.0000000 72 -1
|
|
0.4333333 -0.5666667 0.5000000 144 -1
|
|
0.9000000 0.9000000 0.0000000 47 1
|
|
0.4000000 1.4000000 -0.5000000 119 1
|
|
1.4000000 1.4000000 0.5000000 191 1
|
|
0.9000000 1.9000000 0.0000000 263 1
|
|
-0.6000000 -0.6000000 -0.5000000 215 -1
|
|
-0.1000000 -1.1000000 0.0000000 287 -1
|
|
-0.1000000 -0.1000000 0.0000000 71 -1
|
|
0.4000000 -0.6000000 0.5000000 143 -1
|
|
0.8666667 0.8666667 0.0000000 48 1
|
|
0.3666667 1.3666667 -0.5000000 120 1
|
|
1.3666667 1.3666667 0.5000000 192 1
|
|
0.8666667 1.8666667 0.0000000 264 1
|
|
-0.6333333 -0.6333333 -0.5000000 214 -1
|
|
-0.1333333 -1.1333333 0.0000000 286 -1
|
|
-0.1333333 -0.1333333 0.0000000 70 -1
|
|
0.3666667 -0.6333333 0.5000000 142 -1
|
|
0.8333333 0.8333333 0.0000000 49 1
|
|
0.3333333 1.3333333 -0.5000000 121 1
|
|
1.3333333 1.3333333 0.5000000 193 1
|
|
0.8333333 1.8333333 0.0000000 265 1
|
|
-0.6666667 -0.6666667 -0.5000000 213 -1
|
|
-0.1666667 -1.1666667 0.0000000 285 -1
|
|
-0.1666667 -0.1666667 0.0000000 69 -1
|
|
0.3333333 -0.6666667 0.5000000 141 -1
|
|
0.8000000 0.8000000 0.0000000 50 1
|
|
0.3000000 1.3000000 -0.5000000 122 1
|
|
1.3000000 1.3000000 0.5000000 194 1
|
|
0.8000000 1.8000000 0.0000000 266 1
|
|
-0.7000000 -0.7000000 -0.5000000 212 -1
|
|
-0.2000000 -1.2000000 0.0000000 284 -1
|
|
-0.2000000 -0.2000000 0.0000000 68 -1
|
|
0.3000000 -0.7000000 0.5000000 140 -1
|
|
0.7666667 0.7666667 0.0000000 51 1
|
|
0.2666667 1.2666667 -0.5000000 123 1
|
|
1.2666667 1.2666667 0.5000000 195 1
|
|
0.7666667 1.7666667 0.0000000 267 1
|
|
-0.7333333 -0.7333333 -0.5000000 211 -1
|
|
-0.2333333 -1.2333333 0.0000000 283 -1
|
|
-0.2333333 -0.2333333 0.0000000 67 -1
|
|
0.2666667 -0.7333333 0.5000000 139 -1
|
|
0.7333333 0.7333333 0.0000000 52 1
|
|
0.2333333 1.2333333 -0.5000000 124 1
|
|
1.2333333 1.2333333 0.5000000 196 1
|
|
0.7333333 1.7333333 0.0000000 268 1
|
|
-0.7666667 -0.7666667 -0.5000000 210 -1
|
|
-0.2666667 -1.2666667 0.0000000 282 -1
|
|
-0.2666667 -0.2666667 0.0000000 66 -1
|
|
0.2333333 -0.7666667 0.5000000 138 -1
|
|
0.7000000 0.7000000 0.0000000 53 1
|
|
0.2000000 1.2000000 -0.5000000 125 1
|
|
1.2000000 1.2000000 0.5000000 197 1
|
|
0.7000000 1.7000000 0.0000000 269 1
|
|
-0.8000000 -0.8000000 -0.5000000 209 -1
|
|
-0.3000000 -1.3000000 0.0000000 281 -1
|
|
-0.3000000 -0.3000000 0.0000000 65 -1
|
|
0.2000000 -0.8000000 0.5000000 137 -1
|
|
0.6666667 0.6666667 0.0000000 54 1
|
|
0.1666667 1.1666667 -0.5000000 126 1
|
|
1.1666667 1.1666667 0.5000000 198 1
|
|
0.6666667 1.6666667 0.0000000 270 1
|
|
-0.8333333 -0.8333333 -0.5000000 208 -1
|
|
-0.3333333 -1.3333333 0.0000000 280 -1
|
|
-0.3333333 -0.3333333 0.0000000 64 -1
|
|
0.1666667 -0.8333333 0.5000000 136 -1
|
|
0.6333333 0.6333333 0.0000000 55 1
|
|
0.1333333 1.1333333 -0.5000000 127 1
|
|
1.1333333 1.1333333 0.5000000 199 1
|
|
0.6333333 1.6333333 0.0000000 271 1
|
|
-0.8666667 -0.8666667 -0.5000000 207 -1
|
|
-0.3666667 -1.3666667 0.0000000 279 -1
|
|
-0.3666667 -0.3666667 0.0000000 63 -1
|
|
0.1333333 -0.8666667 0.5000000 135 -1
|
|
0.6000000 0.6000000 0.0000000 56 1
|
|
0.1000000 1.1000000 -0.5000000 128 1
|
|
1.1000000 1.1000000 0.5000000 200 1
|
|
0.6000000 1.6000000 0.0000000 272 1
|
|
-0.9000000 -0.9000000 -0.5000000 206 -1
|
|
-0.4000000 -1.4000000 0.0000000 278 -1
|
|
-0.4000000 -0.4000000 0.0000000 62 -1
|
|
0.1000000 -0.9000000 0.5000000 134 -1
|
|
0.5666667 0.5666667 0.0000000 57 1
|
|
0.0666667 1.0666667 -0.5000000 129 1
|
|
1.0666667 1.0666667 0.5000000 201 1
|
|
0.5666667 1.5666667 0.0000000 273 1
|
|
-0.9333333 -0.9333333 -0.5000000 205 -1
|
|
-0.4333333 -1.4333333 0.0000000 277 -1
|
|
-0.4333333 -0.4333333 0.0000000 61 -1
|
|
0.0666667 -0.9333333 0.5000000 133 -1
|
|
0.5333333 0.5333333 0.0000000 58 1
|
|
0.0333333 1.0333333 -0.5000000 130 1
|
|
1.0333333 1.0333333 0.5000000 202 1
|
|
0.5333333 1.5333333 0.0000000 274 1
|
|
-0.9666667 -0.9666667 -0.5000000 204 -1
|
|
-0.4666667 -1.4666667 0.0000000 276 -1
|
|
-0.4666667 -0.4666667 0.0000000 60 -1
|
|
0.0333333 -0.9666667 0.5000000 132 -1
|
|
0.5000000 0.5000000 0.0000000 59 1
|
|
0.0000000 1.0000000 -0.5000000 131 1
|
|
1.0000000 1.0000000 0.5000000 203 1
|
|
0.5000000 1.5000000 0.0000000 275 1
|
|
-1.0000000 -1.0000000 -0.5000000 203 -1
|
|
-0.5000000 -1.5000000 0.0000000 275 -1
|
|
-0.5000000 -0.5000000 0.0000000 59 -1
|
|
0.0000000 -1.0000000 0.5000000 131 -1
|
|
0.4666667 0.4666667 0.0000000 60 1
|
|
-0.0333333 0.9666667 -0.5000000 132 1
|
|
0.9666667 0.9666667 0.5000000 204 1
|
|
0.4666667 1.4666667 0.0000000 276 1
|
|
-1.0333333 -1.0333333 -0.5000000 202 -1
|
|
-0.5333333 -1.5333333 0.0000000 274 -1
|
|
-0.5333333 -0.5333333 0.0000000 58 -1
|
|
-0.0333333 -1.0333333 0.5000000 130 -1
|
|
0.4333333 0.4333333 0.0000000 61 1
|
|
-0.0666667 0.9333333 -0.5000000 133 1
|
|
0.9333333 0.9333333 0.5000000 205 1
|
|
0.4333333 1.4333333 0.0000000 277 1
|
|
-1.0666667 -1.0666667 -0.5000000 201 -1
|
|
-0.5666667 -1.5666667 0.0000000 273 -1
|
|
-0.5666667 -0.5666667 0.0000000 57 -1
|
|
-0.0666667 -1.0666667 0.5000000 129 -1
|
|
0.4000000 0.4000000 0.0000000 62 1
|
|
-0.1000000 0.9000000 -0.5000000 134 1
|
|
0.9000000 0.9000000 0.5000000 206 1
|
|
0.4000000 1.4000000 0.0000000 278 1
|
|
-1.1000000 -1.1000000 -0.5000000 200 -1
|
|
-0.6000000 -1.6000000 0.0000000 272 -1
|
|
-0.6000000 -0.6000000 0.0000000 56 -1
|
|
-0.1000000 -1.1000000 0.5000000 128 -1
|
|
0.3666667 0.3666667 0.0000000 63 1
|
|
-0.1333333 0.8666667 -0.5000000 135 1
|
|
0.8666667 0.8666667 0.5000000 207 1
|
|
0.3666667 1.3666667 0.0000000 279 1
|
|
-1.1333333 -1.1333333 -0.5000000 199 -1
|
|
-0.6333333 -1.6333333 0.0000000 271 -1
|
|
-0.6333333 -0.6333333 0.0000000 55 -1
|
|
-0.1333333 -1.1333333 0.5000000 127 -1
|
|
0.3333333 0.3333333 0.0000000 64 1
|
|
-0.1666667 0.8333333 -0.5000000 136 1
|
|
0.8333333 0.8333333 0.5000000 208 1
|
|
0.3333333 1.3333333 0.0000000 280 1
|
|
-1.1666667 -1.1666667 -0.5000000 198 -1
|
|
-0.6666667 -1.6666667 0.0000000 270 -1
|
|
-0.6666667 -0.6666667 0.0000000 54 -1
|
|
-0.1666667 -1.1666667 0.5000000 126 -1
|
|
0.3000000 0.3000000 0.0000000 65 1
|
|
-0.2000000 0.8000000 -0.5000000 137 1
|
|
0.8000000 0.8000000 0.5000000 209 1
|
|
0.3000000 1.3000000 0.0000000 281 1
|
|
-1.2000000 -1.2000000 -0.5000000 197 -1
|
|
-0.7000000 -1.7000000 0.0000000 269 -1
|
|
-0.7000000 -0.7000000 0.0000000 53 -1
|
|
-0.2000000 -1.2000000 0.5000000 125 -1
|
|
0.2666667 0.2666667 0.0000000 66 1
|
|
-0.2333333 0.7666667 -0.5000000 138 1
|
|
0.7666667 0.7666667 0.5000000 210 1
|
|
0.2666667 1.2666667 0.0000000 282 1
|
|
-1.2333333 -1.2333333 -0.5000000 196 -1
|
|
-0.7333333 -1.7333333 0.0000000 268 -1
|
|
-0.7333333 -0.7333333 0.0000000 52 -1
|
|
-0.2333333 -1.2333333 0.5000000 124 -1
|
|
0.2333333 0.2333333 0.0000000 67 1
|
|
-0.2666667 0.7333333 -0.5000000 139 1
|
|
0.7333333 0.7333333 0.5000000 211 1
|
|
0.2333333 1.2333333 0.0000000 283 1
|
|
-1.2666667 -1.2666667 -0.5000000 195 -1
|
|
-0.7666667 -1.7666667 0.0000000 267 -1
|
|
-0.7666667 -0.7666667 0.0000000 51 -1
|
|
-0.2666667 -1.2666667 0.5000000 123 -1
|
|
0.2000000 0.2000000 0.0000000 68 1
|
|
-0.3000000 0.7000000 -0.5000000 140 1
|
|
0.7000000 0.7000000 0.5000000 212 1
|
|
0.2000000 1.2000000 0.0000000 284 1
|
|
-1.3000000 -1.3000000 -0.5000000 194 -1
|
|
-0.8000000 -1.8000000 0.0000000 266 -1
|
|
-0.8000000 -0.8000000 0.0000000 50 -1
|
|
-0.3000000 -1.3000000 0.5000000 122 -1
|
|
0.1666667 0.1666667 0.0000000 69 1
|
|
-0.3333333 0.6666667 -0.5000000 141 1
|
|
0.6666667 0.6666667 0.5000000 213 1
|
|
0.1666667 1.1666667 0.0000000 285 1
|
|
-1.3333333 -1.3333333 -0.5000000 193 -1
|
|
-0.8333333 -1.8333333 0.0000000 265 -1
|
|
-0.8333333 -0.8333333 0.0000000 49 -1
|
|
-0.3333333 -1.3333333 0.5000000 121 -1
|
|
0.1333333 0.1333333 0.0000000 70 1
|
|
-0.3666667 0.6333333 -0.5000000 142 1
|
|
0.6333333 0.6333333 0.5000000 214 1
|
|
0.1333333 1.1333333 0.0000000 286 1
|
|
-1.3666667 -1.3666667 -0.5000000 192 -1
|
|
-0.8666667 -1.8666667 0.0000000 264 -1
|
|
-0.8666667 -0.8666667 0.0000000 48 -1
|
|
-0.3666667 -1.3666667 0.5000000 120 -1
|
|
0.1000000 0.1000000 0.0000000 71 1
|
|
-0.4000000 0.6000000 -0.5000000 143 1
|
|
0.6000000 0.6000000 0.5000000 215 1
|
|
0.1000000 1.1000000 0.0000000 287 1
|
|
-1.4000000 -1.4000000 -0.5000000 191 -1
|
|
-0.9000000 -1.9000000 0.0000000 263 -1
|
|
-0.9000000 -0.9000000 0.0000000 47 -1
|
|
-0.4000000 -1.4000000 0.5000000 119 -1
|
|
0.0666667 0.0666667 0.0000000 72 1
|
|
-0.4333333 0.5666667 -0.5000000 144 1
|
|
0.5666667 0.5666667 0.5000000 216 1
|
|
0.0666667 1.0666667 0.0000000 288 1
|
|
-1.4333333 -1.4333333 -0.5000000 190 -1
|
|
-0.9333333 -1.9333333 0.0000000 262 -1
|
|
-0.9333333 -0.9333333 0.0000000 46 -1
|
|
-0.4333333 -1.4333333 0.5000000 118 -1
|
|
0.0333333 0.0333333 0.0000000 73 1
|
|
-0.4666667 0.5333333 -0.5000000 145 1
|
|
0.5333333 0.5333333 0.5000000 217 1
|
|
0.0333333 1.0333333 0.0000000 289 1
|
|
-1.4666667 -1.4666667 -0.5000000 189 -1
|
|
-0.9666667 -1.9666667 0.0000000 261 -1
|
|
-0.9666667 -0.9666667 0.0000000 45 -1
|
|
-0.4666667 -1.4666667 0.5000000 117 -1
|
|
|
|
G-vector sticks info
|
|
--------------------
|
|
sticks: dense smooth PW G-vecs: dense smooth PW
|
|
Sum 253 253 121 2733 2733 821
|
|
|
|
Using Slab Decomposition
|
|
|
|
|
|
|
|
bravais-lattice index = 2
|
|
lattice parameter (alat) = 10.2000 a.u.
|
|
unit-cell volume = 265.3020 (a.u.)^3
|
|
number of atoms/cell = 2
|
|
number of atomic types = 1
|
|
number of electrons = 8.00
|
|
number of Kohn-Sham states= 8
|
|
kinetic-energy cutoff = 18.0000 Ry
|
|
charge density cutoff = 72.0000 Ry
|
|
cutoff for Fock operator = 72.0000 Ry
|
|
scf convergence threshold = 1.0E-08
|
|
mixing beta = 0.7000
|
|
number of iterations used = 8 plain mixing
|
|
Exchange-correlation= HSE
|
|
( 1 4 12 4 0 0 0)
|
|
EXX-fraction = 0.25
|
|
|
|
celldm(1)= 10.200000 celldm(2)= 0.000000 celldm(3)= 0.000000
|
|
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000
|
|
|
|
crystal axes: (cart. coord. in units of alat)
|
|
a(1) = ( -0.500000 0.000000 0.500000 )
|
|
a(2) = ( 0.000000 0.500000 0.500000 )
|
|
a(3) = ( -0.500000 0.500000 0.000000 )
|
|
|
|
reciprocal axes: (cart. coord. in units 2 pi/alat)
|
|
b(1) = ( -1.000000 -1.000000 1.000000 )
|
|
b(2) = ( 1.000000 1.000000 1.000000 )
|
|
b(3) = ( -1.000000 1.000000 -1.000000 )
|
|
|
|
|
|
PseudoPot. # 1 for Si read from file:
|
|
/home/paulatto/espresso/pseudo/Si.pz-vbc.UPF
|
|
MD5 check sum: 9f25e6ff280f3123e9b3a84715b2e9c9
|
|
Pseudo is Norm-conserving, Zval = 4.0
|
|
Generated by new atomic code, or converted to UPF format
|
|
Using radial grid of 431 points, 2 beta functions with:
|
|
l(1) = 0
|
|
l(2) = 1
|
|
|
|
atomic species valence mass pseudopotential
|
|
Si 4.00 28.08600 Si( 1.00)
|
|
|
|
48 Sym. Ops., with inversion, found (24 have fractional translation)
|
|
|
|
|
|
s frac. trans.
|
|
|
|
isym = 1 identity
|
|
|
|
cryst. s( 1) = ( 1 0 0 )
|
|
( 0 1 0 )
|
|
( 0 0 1 )
|
|
|
|
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
|
|
|
|
isym = 2 180 deg rotation - cart. axis [0,0,1]
|
|
|
|
cryst. s( 2) = ( 0 1 -1 )
|
|
( 1 0 -1 )
|
|
( 0 0 -1 )
|
|
|
|
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
|
|
|
|
isym = 3 180 deg rotation - cart. axis [0,1,0]
|
|
|
|
cryst. s( 3) = ( -1 0 0 )
|
|
( -1 0 1 )
|
|
( -1 1 0 )
|
|
|
|
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
|
|
|
|
isym = 4 180 deg rotation - cart. axis [1,0,0]
|
|
|
|
cryst. s( 4) = ( 0 -1 1 )
|
|
( 0 -1 0 )
|
|
( 1 -1 0 )
|
|
|
|
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
|
|
|
|
isym = 5 180 deg rotation - cart. axis [1,1,0]
|
|
|
|
cryst. s( 5) = ( 0 -1 0 ) f =( 0.2500000 )
|
|
( -1 0 0 ) ( 0.2500000 )
|
|
( 0 0 -1 ) ( 0.2500000 )
|
|
|
|
cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 6 180 deg rotation - cart. axis [1,-1,0]
|
|
|
|
cryst. s( 6) = ( -1 0 1 ) f =( 0.2500000 )
|
|
( 0 -1 1 ) ( 0.2500000 )
|
|
( 0 0 1 ) ( 0.2500000 )
|
|
|
|
cart. s( 6) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 7 90 deg rotation - cart. axis [0,0,-1]
|
|
|
|
cryst. s( 7) = ( 0 1 0 ) f =( 0.2500000 )
|
|
( 0 1 -1 ) ( 0.2500000 )
|
|
( -1 1 0 ) ( 0.2500000 )
|
|
|
|
cart. s( 7) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 8 90 deg rotation - cart. axis [0,0,1]
|
|
|
|
cryst. s( 8) = ( 1 0 -1 ) f =( 0.2500000 )
|
|
( 1 0 0 ) ( 0.2500000 )
|
|
( 1 -1 0 ) ( 0.2500000 )
|
|
|
|
cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 9 180 deg rotation - cart. axis [1,0,1]
|
|
|
|
cryst. s( 9) = ( -1 0 0 ) f =( 0.2500000 )
|
|
( 0 0 -1 ) ( 0.2500000 )
|
|
( 0 -1 0 ) ( 0.2500000 )
|
|
|
|
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 10 180 deg rotation - cart. axis [-1,0,1]
|
|
|
|
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
|
|
( 1 -1 0 ) ( 0.2500000 )
|
|
( 1 0 -1 ) ( 0.2500000 )
|
|
|
|
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 11 90 deg rotation - cart. axis [0,1,0]
|
|
|
|
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
|
|
( -1 1 0 ) ( 0.2500000 )
|
|
( 0 1 0 ) ( 0.2500000 )
|
|
|
|
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 12 90 deg rotation - cart. axis [0,-1,0]
|
|
|
|
cryst. s(12) = ( 0 -1 1 ) f =( 0.2500000 )
|
|
( 0 0 1 ) ( 0.2500000 )
|
|
( -1 0 1 ) ( 0.2500000 )
|
|
|
|
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 13 180 deg rotation - cart. axis [0,1,1]
|
|
|
|
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
|
|
( 0 1 0 ) ( 0.2500000 )
|
|
( 0 1 -1 ) ( 0.2500000 )
|
|
|
|
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 14 180 deg rotation - cart. axis [0,1,-1]
|
|
|
|
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
|
|
( 0 -1 0 ) ( 0.2500000 )
|
|
( -1 0 0 ) ( 0.2500000 )
|
|
|
|
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 15 90 deg rotation - cart. axis [-1,0,0]
|
|
|
|
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
|
|
( -1 0 1 ) ( 0.2500000 )
|
|
( 0 -1 1 ) ( 0.2500000 )
|
|
|
|
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 16 90 deg rotation - cart. axis [1,0,0]
|
|
|
|
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
|
|
( 1 0 -1 ) ( 0.2500000 )
|
|
( 1 0 0 ) ( 0.2500000 )
|
|
|
|
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
|
|
|
|
cryst. s(17) = ( -1 0 1 )
|
|
( -1 1 0 )
|
|
( -1 0 0 )
|
|
|
|
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 18 120 deg rotation - cart. axis [-1,1,1]
|
|
|
|
cryst. s(18) = ( 0 1 0 )
|
|
( 0 0 1 )
|
|
( 1 0 0 )
|
|
|
|
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 19 120 deg rotation - cart. axis [1,1,-1]
|
|
|
|
cryst. s(19) = ( 1 0 -1 )
|
|
( 0 0 -1 )
|
|
( 0 1 -1 )
|
|
|
|
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 20 120 deg rotation - cart. axis [1,-1,1]
|
|
|
|
cryst. s(20) = ( 0 -1 0 )
|
|
( 1 -1 0 )
|
|
( 0 -1 1 )
|
|
|
|
cart. s(20) = ( 0.0000000 -1.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 21 120 deg rotation - cart. axis [1,1,1]
|
|
|
|
cryst. s(21) = ( 0 0 -1 )
|
|
( 0 1 -1 )
|
|
( 1 0 -1 )
|
|
|
|
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 22 120 deg rotation - cart. axis [-1,1,-1]
|
|
|
|
cryst. s(22) = ( -1 1 0 )
|
|
( -1 0 0 )
|
|
( -1 0 1 )
|
|
|
|
cart. s(22) = ( 0.0000000 0.0000000 1.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
|
|
|
|
cryst. s(23) = ( 0 0 1 )
|
|
( 1 0 0 )
|
|
( 0 1 0 )
|
|
|
|
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
|
|
|
|
cryst. s(24) = ( 1 -1 0 )
|
|
( 0 -1 1 )
|
|
( 0 -1 0 )
|
|
|
|
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 25 inversion
|
|
|
|
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
|
|
( 0 -1 0 ) ( 0.2500000 )
|
|
( 0 0 -1 ) ( 0.2500000 )
|
|
|
|
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
|
|
|
|
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
|
|
( -1 0 1 ) ( 0.2500000 )
|
|
( 0 0 1 ) ( 0.2500000 )
|
|
|
|
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 27 inv. 180 deg rotation - cart. axis [0,1,0]
|
|
|
|
cryst. s(27) = ( 1 0 0 ) f =( 0.2500000 )
|
|
( 1 0 -1 ) ( 0.2500000 )
|
|
( 1 -1 0 ) ( 0.2500000 )
|
|
|
|
cart. s(27) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 28 inv. 180 deg rotation - cart. axis [1,0,0]
|
|
|
|
cryst. s(28) = ( 0 1 -1 ) f =( 0.2500000 )
|
|
( 0 1 0 ) ( 0.2500000 )
|
|
( -1 1 0 ) ( 0.2500000 )
|
|
|
|
cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 29 inv. 180 deg rotation - cart. axis [1,1,0]
|
|
|
|
cryst. s(29) = ( 0 1 0 )
|
|
( 1 0 0 )
|
|
( 0 0 1 )
|
|
|
|
cart. s(29) = ( 0.0000000 -1.0000000 0.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
|
|
|
|
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
|
|
|
|
cryst. s(30) = ( 1 0 -1 )
|
|
( 0 1 -1 )
|
|
( 0 0 -1 )
|
|
|
|
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
|
|
|
|
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
|
|
|
|
cryst. s(31) = ( 0 -1 0 )
|
|
( 0 -1 1 )
|
|
( 1 -1 0 )
|
|
|
|
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
|
|
|
|
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
|
|
|
|
cryst. s(32) = ( -1 0 1 )
|
|
( -1 0 0 )
|
|
( -1 1 0 )
|
|
|
|
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
|
|
|
|
isym = 33 inv. 180 deg rotation - cart. axis [1,0,1]
|
|
|
|
cryst. s(33) = ( 1 0 0 )
|
|
( 0 0 1 )
|
|
( 0 1 0 )
|
|
|
|
cart. s(33) = ( 0.0000000 0.0000000 -1.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1]
|
|
|
|
cryst. s(34) = ( -1 0 0 )
|
|
( -1 1 0 )
|
|
( -1 0 1 )
|
|
|
|
cart. s(34) = ( 0.0000000 0.0000000 1.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
|
|
|
|
cryst. s(35) = ( 0 -1 1 )
|
|
( 1 -1 0 )
|
|
( 0 -1 0 )
|
|
|
|
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
( 1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
|
|
|
|
cryst. s(36) = ( 0 1 -1 )
|
|
( 0 0 -1 )
|
|
( 1 0 -1 )
|
|
|
|
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
( -1.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
isym = 37 inv. 180 deg rotation - cart. axis [0,1,1]
|
|
|
|
cryst. s(37) = ( 1 -1 0 )
|
|
( 0 -1 0 )
|
|
( 0 -1 1 )
|
|
|
|
cart. s(37) = ( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
|
|
|
|
cryst. s(38) = ( 0 0 1 )
|
|
( 0 1 0 )
|
|
( 1 0 0 )
|
|
|
|
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
|
|
|
|
cryst. s(39) = ( 0 0 -1 )
|
|
( 1 0 -1 )
|
|
( 0 1 -1 )
|
|
|
|
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 -1.0000000 )
|
|
( 0.0000000 1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
|
|
|
|
cryst. s(40) = ( -1 1 0 )
|
|
( -1 0 1 )
|
|
( -1 0 0 )
|
|
|
|
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
|
|
( 0.0000000 0.0000000 1.0000000 )
|
|
( 0.0000000 -1.0000000 0.0000000 )
|
|
|
|
|
|
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
|
|
|
|
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
|
|
( 1 -1 0 ) ( 0.2500000 )
|
|
( 1 0 0 ) ( 0.2500000 )
|
|
|
|
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
|
|
|
|
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
|
|
( 0 0 -1 ) ( 0.2500000 )
|
|
( -1 0 0 ) ( 0.2500000 )
|
|
|
|
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
|
|
|
|
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
|
|
( 0 0 1 ) ( 0.2500000 )
|
|
( 0 -1 1 ) ( 0.2500000 )
|
|
|
|
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
|
|
|
|
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
|
|
( -1 1 0 ) ( 0.2500000 )
|
|
( 0 1 -1 ) ( 0.2500000 )
|
|
|
|
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
|
|
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
|
|
|
|
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
|
|
( 0 -1 1 ) ( 0.2500000 )
|
|
( -1 0 1 ) ( 0.2500000 )
|
|
|
|
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
|
|
|
|
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
|
|
( 1 0 0 ) ( 0.2500000 )
|
|
( 1 0 -1 ) ( 0.2500000 )
|
|
|
|
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
|
|
|
|
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
|
|
( -1 0 0 ) ( 0.2500000 )
|
|
( 0 -1 0 ) ( 0.2500000 )
|
|
|
|
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
|
|
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
|
|
|
|
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
|
|
( 0 1 -1 ) ( 0.2500000 )
|
|
( 0 1 0 ) ( 0.2500000 )
|
|
|
|
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
|
|
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
|
|
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
|
|
|
|
|
|
point group O_h (m-3m)
|
|
there are 10 classes
|
|
the character table:
|
|
|
|
E 8C3 3C2 6C4 6C2' i 8S6 3s_h 6S4 6s_d
|
|
A_1g 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
|
|
A_2g 1.00 1.00 1.00 -1.00 -1.00 1.00 1.00 1.00 -1.00 -1.00
|
|
E_g 2.00 -1.00 2.00 0.00 0.00 2.00 -1.00 2.00 0.00 0.00
|
|
T_1g 3.00 0.00 -1.00 1.00 -1.00 3.00 0.00 -1.00 1.00 -1.00
|
|
T_2g 3.00 0.00 -1.00 -1.00 1.00 3.00 0.00 -1.00 -1.00 1.00
|
|
A_1u 1.00 1.00 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00
|
|
A_2u 1.00 1.00 1.00 -1.00 -1.00 -1.00 -1.00 -1.00 1.00 1.00
|
|
E_u 2.00 -1.00 2.00 0.00 0.00 -2.00 1.00 -2.00 0.00 0.00
|
|
T_1u 3.00 0.00 -1.00 1.00 -1.00 -3.00 0.00 1.00 -1.00 1.00
|
|
T_2u 3.00 0.00 -1.00 -1.00 1.00 -3.00 0.00 1.00 1.00 -1.00
|
|
|
|
the symmetry operations in each class and the name of the first element:
|
|
|
|
E 1
|
|
identity
|
|
8C3 17 19 20 18 24 21 22 23
|
|
120 deg rotation - cart. axis [-1,-1,-1]
|
|
3C2 2 4 3
|
|
180 deg rotation - cart. axis [0,0,1]
|
|
6C4 7 8 15 16 12 11
|
|
90 deg rotation - cart. axis [0,0,-1]
|
|
6C2' 5 6 14 13 10 9
|
|
180 deg rotation - cart. axis [1,1,0]
|
|
i 25
|
|
inversion
|
|
8S6 41 43 44 42 48 45 46 47
|
|
inv. 120 deg rotation - cart. axis [-1,-1,-1]
|
|
3s_h 26 28 27
|
|
inv. 180 deg rotation - cart. axis [0,0,1]
|
|
6S4 31 32 39 40 36 35
|
|
inv. 90 deg rotation - cart. axis [0,0,-1]
|
|
6s_d 29 30 38 37 34 33
|
|
inv. 180 deg rotation - cart. axis [1,1,0]
|
|
|
|
Cartesian axes
|
|
|
|
site n. atom positions (alat units)
|
|
1 Si tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
|
|
2 Si tau( 2) = ( 0.2500000 0.2500000 0.2500000 )
|
|
|
|
Crystallographic axes
|
|
|
|
site n. atom positions (cryst. coord.)
|
|
1 Si tau( 1) = ( 0.0000000 0.0000000 0.0000000 )
|
|
2 Si tau( 2) = ( -0.2500000 0.7500000 -0.2500000 )
|
|
|
|
number of k points= 578
|
|
cart. coord. in units 2pi/alat
|
|
k( 1) = ( -0.2500000 0.2500000 0.2500000), wk = 0.5000000
|
|
k( 2) = ( 0.2500000 -0.2500000 0.7500000), wk = 1.5000000
|
|
k( 3) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 4) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0000000
|
|
k( 5) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0000000
|
|
k( 6) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0000000
|
|
k( 7) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0000000
|
|
k( 8) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0000000
|
|
k( 9) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0000000
|
|
k( 10) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0000000
|
|
k( 11) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0000000
|
|
k( 12) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0000000
|
|
k( 13) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0000000
|
|
k( 14) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0000000
|
|
k( 15) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0000000
|
|
k( 16) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0000000
|
|
k( 17) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0000000
|
|
k( 18) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0000000
|
|
k( 19) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0000000
|
|
k( 20) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0000000
|
|
k( 21) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0000000
|
|
k( 22) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0000000
|
|
k( 23) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 24) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 25) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 26) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 27) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 28) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 29) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 30) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 31) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 32) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 34) = ( 0.0000000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 35) = ( 0.0000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 36) = ( 0.0000000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 37) = ( 0.0000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 38) = ( 0.0000000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 39) = ( 0.0000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 40) = ( 0.0000000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 41) = ( 0.0000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 42) = ( 0.0000000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 43) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 44) = ( 1.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 45) = ( 0.9666667 0.9666667 0.0000000), wk = 0.0000000
|
|
k( 46) = ( 0.9333333 0.9333333 0.0000000), wk = 0.0000000
|
|
k( 47) = ( 0.9000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 48) = ( 0.8666667 0.8666667 0.0000000), wk = 0.0000000
|
|
k( 49) = ( 0.8333333 0.8333333 0.0000000), wk = 0.0000000
|
|
k( 50) = ( 0.8000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 51) = ( 0.7666667 0.7666667 0.0000000), wk = 0.0000000
|
|
k( 52) = ( 0.7333333 0.7333333 0.0000000), wk = 0.0000000
|
|
k( 53) = ( 0.7000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 54) = ( 0.6666667 0.6666667 0.0000000), wk = 0.0000000
|
|
k( 55) = ( 0.6333333 0.6333333 0.0000000), wk = 0.0000000
|
|
k( 56) = ( 0.6000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 57) = ( 0.5666667 0.5666667 0.0000000), wk = 0.0000000
|
|
k( 58) = ( 0.5333333 0.5333333 0.0000000), wk = 0.0000000
|
|
k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 60) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0000000
|
|
k( 61) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0000000
|
|
k( 62) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 63) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0000000
|
|
k( 64) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0000000
|
|
k( 65) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 66) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0000000
|
|
k( 67) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0000000
|
|
k( 68) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 69) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0000000
|
|
k( 70) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0000000
|
|
k( 71) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 72) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0000000
|
|
k( 73) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0000000
|
|
k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 75) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 76) = ( -0.0250000 0.9750000 -0.0250000), wk = 0.0000000
|
|
k( 77) = ( -0.0500000 0.9500000 -0.0500000), wk = 0.0000000
|
|
k( 78) = ( -0.0750000 0.9250000 -0.0750000), wk = 0.0000000
|
|
k( 79) = ( -0.1000000 0.9000000 -0.1000000), wk = 0.0000000
|
|
k( 80) = ( -0.1250000 0.8750000 -0.1250000), wk = 0.0000000
|
|
k( 81) = ( -0.1500000 0.8500000 -0.1500000), wk = 0.0000000
|
|
k( 82) = ( -0.1750000 0.8250000 -0.1750000), wk = 0.0000000
|
|
k( 83) = ( -0.2000000 0.8000000 -0.2000000), wk = 0.0000000
|
|
k( 84) = ( -0.2250000 0.7750000 -0.2250000), wk = 0.0000000
|
|
k( 85) = ( -0.2500000 0.7500000 -0.2500000), wk = 0.0000000
|
|
k( 86) = ( -0.2750000 0.7250000 -0.2750000), wk = 0.0000000
|
|
k( 87) = ( -0.3000000 0.7000000 -0.3000000), wk = 0.0000000
|
|
k( 88) = ( -0.3250000 0.6750000 -0.3250000), wk = 0.0000000
|
|
k( 89) = ( -0.3500000 0.6500000 -0.3500000), wk = 0.0000000
|
|
k( 90) = ( -0.3750000 0.6250000 -0.3750000), wk = 0.0000000
|
|
k( 91) = ( -0.4000000 0.6000000 -0.4000000), wk = 0.0000000
|
|
k( 92) = ( -0.4250000 0.5750000 -0.4250000), wk = 0.0000000
|
|
k( 93) = ( -0.4500000 0.5500000 -0.4500000), wk = 0.0000000
|
|
k( 94) = ( -0.4750000 0.5250000 -0.4750000), wk = 0.0000000
|
|
k( 95) = ( -0.5000000 0.5000000 -0.5000000), wk = 0.0000000
|
|
k( 96) = ( -0.5000000 0.5500000 -0.5000000), wk = 0.0000000
|
|
k( 97) = ( -0.5000000 0.6000000 -0.5000000), wk = 0.0000000
|
|
k( 98) = ( -0.5000000 0.6500000 -0.5000000), wk = 0.0000000
|
|
k( 99) = ( -0.5000000 0.7000000 -0.5000000), wk = 0.0000000
|
|
k( 100) = ( -0.5000000 0.7500000 -0.5000000), wk = 0.0000000
|
|
k( 101) = ( -0.5000000 0.8000000 -0.5000000), wk = 0.0000000
|
|
k( 102) = ( -0.5000000 0.8500000 -0.5000000), wk = 0.0000000
|
|
k( 103) = ( -0.5000000 0.9000000 -0.5000000), wk = 0.0000000
|
|
k( 104) = ( -0.5000000 0.9500000 -0.5000000), wk = 0.0000000
|
|
k( 105) = ( -0.5000000 1.0000000 -0.5000000), wk = 0.0000000
|
|
k( 106) = ( -0.5000000 1.0500000 -0.5000000), wk = 0.0000000
|
|
k( 107) = ( -0.5000000 1.1000000 -0.5000000), wk = 0.0000000
|
|
k( 108) = ( -0.5000000 1.1500000 -0.5000000), wk = 0.0000000
|
|
k( 109) = ( -0.5000000 1.2000000 -0.5000000), wk = 0.0000000
|
|
k( 110) = ( -0.5000000 1.2500000 -0.5000000), wk = 0.0000000
|
|
k( 111) = ( -0.5000000 1.3000000 -0.5000000), wk = 0.0000000
|
|
k( 112) = ( -0.5000000 1.3500000 -0.5000000), wk = 0.0000000
|
|
k( 113) = ( -0.5000000 1.4000000 -0.5000000), wk = 0.0000000
|
|
k( 114) = ( -0.5000000 1.4500000 -0.5000000), wk = 0.0000000
|
|
k( 115) = ( -0.5000000 1.5000000 -0.5000000), wk = 0.0000000
|
|
k( 116) = ( 0.5000000 1.5000000 -0.5000000), wk = 0.0000000
|
|
k( 117) = ( 0.4666667 1.4666667 -0.5000000), wk = 0.0000000
|
|
k( 118) = ( 0.4333333 1.4333333 -0.5000000), wk = 0.0000000
|
|
k( 119) = ( 0.4000000 1.4000000 -0.5000000), wk = 0.0000000
|
|
k( 120) = ( 0.3666667 1.3666667 -0.5000000), wk = 0.0000000
|
|
k( 121) = ( 0.3333333 1.3333333 -0.5000000), wk = 0.0000000
|
|
k( 122) = ( 0.3000000 1.3000000 -0.5000000), wk = 0.0000000
|
|
k( 123) = ( 0.2666667 1.2666667 -0.5000000), wk = 0.0000000
|
|
k( 124) = ( 0.2333333 1.2333333 -0.5000000), wk = 0.0000000
|
|
k( 125) = ( 0.2000000 1.2000000 -0.5000000), wk = 0.0000000
|
|
k( 126) = ( 0.1666667 1.1666667 -0.5000000), wk = 0.0000000
|
|
k( 127) = ( 0.1333333 1.1333333 -0.5000000), wk = 0.0000000
|
|
k( 128) = ( 0.1000000 1.1000000 -0.5000000), wk = 0.0000000
|
|
k( 129) = ( 0.0666667 1.0666667 -0.5000000), wk = 0.0000000
|
|
k( 130) = ( 0.0333333 1.0333333 -0.5000000), wk = 0.0000000
|
|
k( 131) = ( 0.0000000 1.0000000 -0.5000000), wk = 0.0000000
|
|
k( 132) = ( -0.0333333 0.9666667 -0.5000000), wk = 0.0000000
|
|
k( 133) = ( -0.0666667 0.9333333 -0.5000000), wk = 0.0000000
|
|
k( 134) = ( -0.1000000 0.9000000 -0.5000000), wk = 0.0000000
|
|
k( 135) = ( -0.1333333 0.8666667 -0.5000000), wk = 0.0000000
|
|
k( 136) = ( -0.1666667 0.8333333 -0.5000000), wk = 0.0000000
|
|
k( 137) = ( -0.2000000 0.8000000 -0.5000000), wk = 0.0000000
|
|
k( 138) = ( -0.2333333 0.7666667 -0.5000000), wk = 0.0000000
|
|
k( 139) = ( -0.2666667 0.7333333 -0.5000000), wk = 0.0000000
|
|
k( 140) = ( -0.3000000 0.7000000 -0.5000000), wk = 0.0000000
|
|
k( 141) = ( -0.3333333 0.6666667 -0.5000000), wk = 0.0000000
|
|
k( 142) = ( -0.3666667 0.6333333 -0.5000000), wk = 0.0000000
|
|
k( 143) = ( -0.4000000 0.6000000 -0.5000000), wk = 0.0000000
|
|
k( 144) = ( -0.4333333 0.5666667 -0.5000000), wk = 0.0000000
|
|
k( 145) = ( -0.4666667 0.5333333 -0.5000000), wk = 0.0000000
|
|
k( 146) = ( -0.5000000 0.5000000 -0.5000000), wk = 0.0000000
|
|
k( 147) = ( 1.0000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 148) = ( 0.9750000 0.9750000 0.9750000), wk = 0.0000000
|
|
k( 149) = ( 0.9500000 0.9500000 0.9500000), wk = 0.0000000
|
|
k( 150) = ( 0.9250000 0.9250000 0.9250000), wk = 0.0000000
|
|
k( 151) = ( 0.9000000 0.9000000 0.9000000), wk = 0.0000000
|
|
k( 152) = ( 0.8750000 0.8750000 0.8750000), wk = 0.0000000
|
|
k( 153) = ( 0.8500000 0.8500000 0.8500000), wk = 0.0000000
|
|
k( 154) = ( 0.8250000 0.8250000 0.8250000), wk = 0.0000000
|
|
k( 155) = ( 0.8000000 0.8000000 0.8000000), wk = 0.0000000
|
|
k( 156) = ( 0.7750000 0.7750000 0.7750000), wk = 0.0000000
|
|
k( 157) = ( 0.7500000 0.7500000 0.7500000), wk = 0.0000000
|
|
k( 158) = ( 0.7250000 0.7250000 0.7250000), wk = 0.0000000
|
|
k( 159) = ( 0.7000000 0.7000000 0.7000000), wk = 0.0000000
|
|
k( 160) = ( 0.6750000 0.6750000 0.6750000), wk = 0.0000000
|
|
k( 161) = ( 0.6500000 0.6500000 0.6500000), wk = 0.0000000
|
|
k( 162) = ( 0.6250000 0.6250000 0.6250000), wk = 0.0000000
|
|
k( 163) = ( 0.6000000 0.6000000 0.6000000), wk = 0.0000000
|
|
k( 164) = ( 0.5750000 0.5750000 0.5750000), wk = 0.0000000
|
|
k( 165) = ( 0.5500000 0.5500000 0.5500000), wk = 0.0000000
|
|
k( 166) = ( 0.5250000 0.5250000 0.5250000), wk = 0.0000000
|
|
k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 168) = ( 0.5000000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 169) = ( 0.5000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 170) = ( 0.5000000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 171) = ( 0.5000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 172) = ( 0.5000000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 173) = ( 0.5000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 174) = ( 0.5000000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 175) = ( 0.5000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 176) = ( 0.5000000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 177) = ( 0.5000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 178) = ( 0.5000000 1.0500000 0.5000000), wk = 0.0000000
|
|
k( 179) = ( 0.5000000 1.1000000 0.5000000), wk = 0.0000000
|
|
k( 180) = ( 0.5000000 1.1500000 0.5000000), wk = 0.0000000
|
|
k( 181) = ( 0.5000000 1.2000000 0.5000000), wk = 0.0000000
|
|
k( 182) = ( 0.5000000 1.2500000 0.5000000), wk = 0.0000000
|
|
k( 183) = ( 0.5000000 1.3000000 0.5000000), wk = 0.0000000
|
|
k( 184) = ( 0.5000000 1.3500000 0.5000000), wk = 0.0000000
|
|
k( 185) = ( 0.5000000 1.4000000 0.5000000), wk = 0.0000000
|
|
k( 186) = ( 0.5000000 1.4500000 0.5000000), wk = 0.0000000
|
|
k( 187) = ( 0.5000000 1.5000000 0.5000000), wk = 0.0000000
|
|
k( 188) = ( 1.5000000 1.5000000 0.5000000), wk = 0.0000000
|
|
k( 189) = ( 1.4666667 1.4666667 0.5000000), wk = 0.0000000
|
|
k( 190) = ( 1.4333333 1.4333333 0.5000000), wk = 0.0000000
|
|
k( 191) = ( 1.4000000 1.4000000 0.5000000), wk = 0.0000000
|
|
k( 192) = ( 1.3666667 1.3666667 0.5000000), wk = 0.0000000
|
|
k( 193) = ( 1.3333333 1.3333333 0.5000000), wk = 0.0000000
|
|
k( 194) = ( 1.3000000 1.3000000 0.5000000), wk = 0.0000000
|
|
k( 195) = ( 1.2666667 1.2666667 0.5000000), wk = 0.0000000
|
|
k( 196) = ( 1.2333333 1.2333333 0.5000000), wk = 0.0000000
|
|
k( 197) = ( 1.2000000 1.2000000 0.5000000), wk = 0.0000000
|
|
k( 198) = ( 1.1666667 1.1666667 0.5000000), wk = 0.0000000
|
|
k( 199) = ( 1.1333333 1.1333333 0.5000000), wk = 0.0000000
|
|
k( 200) = ( 1.1000000 1.1000000 0.5000000), wk = 0.0000000
|
|
k( 201) = ( 1.0666667 1.0666667 0.5000000), wk = 0.0000000
|
|
k( 202) = ( 1.0333333 1.0333333 0.5000000), wk = 0.0000000
|
|
k( 203) = ( 1.0000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 204) = ( 0.9666667 0.9666667 0.5000000), wk = 0.0000000
|
|
k( 205) = ( 0.9333333 0.9333333 0.5000000), wk = 0.0000000
|
|
k( 206) = ( 0.9000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 207) = ( 0.8666667 0.8666667 0.5000000), wk = 0.0000000
|
|
k( 208) = ( 0.8333333 0.8333333 0.5000000), wk = 0.0000000
|
|
k( 209) = ( 0.8000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 210) = ( 0.7666667 0.7666667 0.5000000), wk = 0.0000000
|
|
k( 211) = ( 0.7333333 0.7333333 0.5000000), wk = 0.0000000
|
|
k( 212) = ( 0.7000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 213) = ( 0.6666667 0.6666667 0.5000000), wk = 0.0000000
|
|
k( 214) = ( 0.6333333 0.6333333 0.5000000), wk = 0.0000000
|
|
k( 215) = ( 0.6000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 216) = ( 0.5666667 0.5666667 0.5000000), wk = 0.0000000
|
|
k( 217) = ( 0.5333333 0.5333333 0.5000000), wk = 0.0000000
|
|
k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 219) = ( 0.5000000 1.5000000 0.5000000), wk = 0.0000000
|
|
k( 220) = ( 0.4750000 1.4750000 0.4750000), wk = 0.0000000
|
|
k( 221) = ( 0.4500000 1.4500000 0.4500000), wk = 0.0000000
|
|
k( 222) = ( 0.4250000 1.4250000 0.4250000), wk = 0.0000000
|
|
k( 223) = ( 0.4000000 1.4000000 0.4000000), wk = 0.0000000
|
|
k( 224) = ( 0.3750000 1.3750000 0.3750000), wk = 0.0000000
|
|
k( 225) = ( 0.3500000 1.3500000 0.3500000), wk = 0.0000000
|
|
k( 226) = ( 0.3250000 1.3250000 0.3250000), wk = 0.0000000
|
|
k( 227) = ( 0.3000000 1.3000000 0.3000000), wk = 0.0000000
|
|
k( 228) = ( 0.2750000 1.2750000 0.2750000), wk = 0.0000000
|
|
k( 229) = ( 0.2500000 1.2500000 0.2500000), wk = 0.0000000
|
|
k( 230) = ( 0.2250000 1.2250000 0.2250000), wk = 0.0000000
|
|
k( 231) = ( 0.2000000 1.2000000 0.2000000), wk = 0.0000000
|
|
k( 232) = ( 0.1750000 1.1750000 0.1750000), wk = 0.0000000
|
|
k( 233) = ( 0.1500000 1.1500000 0.1500000), wk = 0.0000000
|
|
k( 234) = ( 0.1250000 1.1250000 0.1250000), wk = 0.0000000
|
|
k( 235) = ( 0.1000000 1.1000000 0.1000000), wk = 0.0000000
|
|
k( 236) = ( 0.0750000 1.0750000 0.0750000), wk = 0.0000000
|
|
k( 237) = ( 0.0500000 1.0500000 0.0500000), wk = 0.0000000
|
|
k( 238) = ( 0.0250000 1.0250000 0.0250000), wk = 0.0000000
|
|
k( 239) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 240) = ( 0.0000000 1.0500000 0.0000000), wk = 0.0000000
|
|
k( 241) = ( 0.0000000 1.1000000 0.0000000), wk = 0.0000000
|
|
k( 242) = ( 0.0000000 1.1500000 0.0000000), wk = 0.0000000
|
|
k( 243) = ( 0.0000000 1.2000000 0.0000000), wk = 0.0000000
|
|
k( 244) = ( 0.0000000 1.2500000 0.0000000), wk = 0.0000000
|
|
k( 245) = ( 0.0000000 1.3000000 0.0000000), wk = 0.0000000
|
|
k( 246) = ( 0.0000000 1.3500000 0.0000000), wk = 0.0000000
|
|
k( 247) = ( 0.0000000 1.4000000 0.0000000), wk = 0.0000000
|
|
k( 248) = ( 0.0000000 1.4500000 0.0000000), wk = 0.0000000
|
|
k( 249) = ( 0.0000000 1.5000000 0.0000000), wk = 0.0000000
|
|
k( 250) = ( 0.0000000 1.5500000 0.0000000), wk = 0.0000000
|
|
k( 251) = ( 0.0000000 1.6000000 0.0000000), wk = 0.0000000
|
|
k( 252) = ( 0.0000000 1.6500000 0.0000000), wk = 0.0000000
|
|
k( 253) = ( 0.0000000 1.7000000 0.0000000), wk = 0.0000000
|
|
k( 254) = ( 0.0000000 1.7500000 0.0000000), wk = 0.0000000
|
|
k( 255) = ( 0.0000000 1.8000000 0.0000000), wk = 0.0000000
|
|
k( 256) = ( 0.0000000 1.8500000 0.0000000), wk = 0.0000000
|
|
k( 257) = ( 0.0000000 1.9000000 0.0000000), wk = 0.0000000
|
|
k( 258) = ( 0.0000000 1.9500000 0.0000000), wk = 0.0000000
|
|
k( 259) = ( 0.0000000 2.0000000 0.0000000), wk = 0.0000000
|
|
k( 260) = ( 1.0000000 2.0000000 0.0000000), wk = 0.0000000
|
|
k( 261) = ( 0.9666667 1.9666667 0.0000000), wk = 0.0000000
|
|
k( 262) = ( 0.9333333 1.9333333 0.0000000), wk = 0.0000000
|
|
k( 263) = ( 0.9000000 1.9000000 0.0000000), wk = 0.0000000
|
|
k( 264) = ( 0.8666667 1.8666667 0.0000000), wk = 0.0000000
|
|
k( 265) = ( 0.8333333 1.8333333 0.0000000), wk = 0.0000000
|
|
k( 266) = ( 0.8000000 1.8000000 0.0000000), wk = 0.0000000
|
|
k( 267) = ( 0.7666667 1.7666667 0.0000000), wk = 0.0000000
|
|
k( 268) = ( 0.7333333 1.7333333 0.0000000), wk = 0.0000000
|
|
k( 269) = ( 0.7000000 1.7000000 0.0000000), wk = 0.0000000
|
|
k( 270) = ( 0.6666667 1.6666667 0.0000000), wk = 0.0000000
|
|
k( 271) = ( 0.6333333 1.6333333 0.0000000), wk = 0.0000000
|
|
k( 272) = ( 0.6000000 1.6000000 0.0000000), wk = 0.0000000
|
|
k( 273) = ( 0.5666667 1.5666667 0.0000000), wk = 0.0000000
|
|
k( 274) = ( 0.5333333 1.5333333 0.0000000), wk = 0.0000000
|
|
k( 275) = ( 0.5000000 1.5000000 0.0000000), wk = 0.0000000
|
|
k( 276) = ( 0.4666667 1.4666667 0.0000000), wk = 0.0000000
|
|
k( 277) = ( 0.4333333 1.4333333 0.0000000), wk = 0.0000000
|
|
k( 278) = ( 0.4000000 1.4000000 0.0000000), wk = 0.0000000
|
|
k( 279) = ( 0.3666667 1.3666667 0.0000000), wk = 0.0000000
|
|
k( 280) = ( 0.3333333 1.3333333 0.0000000), wk = 0.0000000
|
|
k( 281) = ( 0.3000000 1.3000000 0.0000000), wk = 0.0000000
|
|
k( 282) = ( 0.2666667 1.2666667 0.0000000), wk = 0.0000000
|
|
k( 283) = ( 0.2333333 1.2333333 0.0000000), wk = 0.0000000
|
|
k( 284) = ( 0.2000000 1.2000000 0.0000000), wk = 0.0000000
|
|
k( 285) = ( 0.1666667 1.1666667 0.0000000), wk = 0.0000000
|
|
k( 286) = ( 0.1333333 1.1333333 0.0000000), wk = 0.0000000
|
|
k( 287) = ( 0.1000000 1.1000000 0.0000000), wk = 0.0000000
|
|
k( 288) = ( 0.0666667 1.0666667 0.0000000), wk = 0.0000000
|
|
k( 289) = ( 0.0333333 1.0333333 0.0000000), wk = 0.0000000
|
|
k( 290) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 291) = ( 0.0000000 0.0000000 1.0000000), wk = 0.0000000
|
|
k( 292) = ( -0.0250000 -0.0250000 0.9750000), wk = 0.0000000
|
|
k( 293) = ( -0.0500000 -0.0500000 0.9500000), wk = 0.0000000
|
|
k( 294) = ( -0.0750000 -0.0750000 0.9250000), wk = 0.0000000
|
|
k( 295) = ( -0.1000000 -0.1000000 0.9000000), wk = 0.0000000
|
|
k( 296) = ( -0.1250000 -0.1250000 0.8750000), wk = 0.0000000
|
|
k( 297) = ( -0.1500000 -0.1500000 0.8500000), wk = 0.0000000
|
|
k( 298) = ( -0.1750000 -0.1750000 0.8250000), wk = 0.0000000
|
|
k( 299) = ( -0.2000000 -0.2000000 0.8000000), wk = 0.0000000
|
|
k( 300) = ( -0.2250000 -0.2250000 0.7750000), wk = 0.0000000
|
|
k( 301) = ( -0.2500000 -0.2500000 0.7500000), wk = 0.0000000
|
|
k( 302) = ( -0.2750000 -0.2750000 0.7250000), wk = 0.0000000
|
|
k( 303) = ( -0.3000000 -0.3000000 0.7000000), wk = 0.0000000
|
|
k( 304) = ( -0.3250000 -0.3250000 0.6750000), wk = 0.0000000
|
|
k( 305) = ( -0.3500000 -0.3500000 0.6500000), wk = 0.0000000
|
|
k( 306) = ( -0.3750000 -0.3750000 0.6250000), wk = 0.0000000
|
|
k( 307) = ( -0.4000000 -0.4000000 0.6000000), wk = 0.0000000
|
|
k( 308) = ( -0.4250000 -0.4250000 0.5750000), wk = 0.0000000
|
|
k( 309) = ( -0.4500000 -0.4500000 0.5500000), wk = 0.0000000
|
|
k( 310) = ( -0.4750000 -0.4750000 0.5250000), wk = 0.0000000
|
|
k( 311) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0000000
|
|
k( 312) = ( -0.5000000 -0.4500000 0.5000000), wk = 0.0000000
|
|
k( 313) = ( -0.5000000 -0.4000000 0.5000000), wk = 0.0000000
|
|
k( 314) = ( -0.5000000 -0.3500000 0.5000000), wk = 0.0000000
|
|
k( 315) = ( -0.5000000 -0.3000000 0.5000000), wk = 0.0000000
|
|
k( 316) = ( -0.5000000 -0.2500000 0.5000000), wk = 0.0000000
|
|
k( 317) = ( -0.5000000 -0.2000000 0.5000000), wk = 0.0000000
|
|
k( 318) = ( -0.5000000 -0.1500000 0.5000000), wk = 0.0000000
|
|
k( 319) = ( -0.5000000 -0.1000000 0.5000000), wk = 0.0000000
|
|
k( 320) = ( -0.5000000 -0.0500000 0.5000000), wk = 0.0000000
|
|
k( 321) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 322) = ( -0.5000000 0.0500000 0.5000000), wk = 0.0000000
|
|
k( 323) = ( -0.5000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 324) = ( -0.5000000 0.1500000 0.5000000), wk = 0.0000000
|
|
k( 325) = ( -0.5000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 326) = ( -0.5000000 0.2500000 0.5000000), wk = 0.0000000
|
|
k( 327) = ( -0.5000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 328) = ( -0.5000000 0.3500000 0.5000000), wk = 0.0000000
|
|
k( 329) = ( -0.5000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 330) = ( -0.5000000 0.4500000 0.5000000), wk = 0.0000000
|
|
k( 331) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 333) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0000000
|
|
k( 334) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0000000
|
|
k( 335) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 336) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0000000
|
|
k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0000000
|
|
k( 338) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 339) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0000000
|
|
k( 340) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0000000
|
|
k( 341) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 342) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0000000
|
|
k( 343) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0000000
|
|
k( 344) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 345) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0000000
|
|
k( 346) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0000000
|
|
k( 347) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 348) = ( -0.0333333 -0.0333333 0.5000000), wk = 0.0000000
|
|
k( 349) = ( -0.0666667 -0.0666667 0.5000000), wk = 0.0000000
|
|
k( 350) = ( -0.1000000 -0.1000000 0.5000000), wk = 0.0000000
|
|
k( 351) = ( -0.1333333 -0.1333333 0.5000000), wk = 0.0000000
|
|
k( 352) = ( -0.1666667 -0.1666667 0.5000000), wk = 0.0000000
|
|
k( 353) = ( -0.2000000 -0.2000000 0.5000000), wk = 0.0000000
|
|
k( 354) = ( -0.2333333 -0.2333333 0.5000000), wk = 0.0000000
|
|
k( 355) = ( -0.2666667 -0.2666667 0.5000000), wk = 0.0000000
|
|
k( 356) = ( -0.3000000 -0.3000000 0.5000000), wk = 0.0000000
|
|
k( 357) = ( -0.3333333 -0.3333333 0.5000000), wk = 0.0000000
|
|
k( 358) = ( -0.3666667 -0.3666667 0.5000000), wk = 0.0000000
|
|
k( 359) = ( -0.4000000 -0.4000000 0.5000000), wk = 0.0000000
|
|
k( 360) = ( -0.4333333 -0.4333333 0.5000000), wk = 0.0000000
|
|
k( 361) = ( -0.4666667 -0.4666667 0.5000000), wk = 0.0000000
|
|
k( 362) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0000000
|
|
k( 363) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 364) = ( -0.5250000 0.4750000 0.4750000), wk = 0.0000000
|
|
k( 365) = ( -0.5500000 0.4500000 0.4500000), wk = 0.0000000
|
|
k( 366) = ( -0.5750000 0.4250000 0.4250000), wk = 0.0000000
|
|
k( 367) = ( -0.6000000 0.4000000 0.4000000), wk = 0.0000000
|
|
k( 368) = ( -0.6250000 0.3750000 0.3750000), wk = 0.0000000
|
|
k( 369) = ( -0.6500000 0.3500000 0.3500000), wk = 0.0000000
|
|
k( 370) = ( -0.6750000 0.3250000 0.3250000), wk = 0.0000000
|
|
k( 371) = ( -0.7000000 0.3000000 0.3000000), wk = 0.0000000
|
|
k( 372) = ( -0.7250000 0.2750000 0.2750000), wk = 0.0000000
|
|
k( 373) = ( -0.7500000 0.2500000 0.2500000), wk = 0.0000000
|
|
k( 374) = ( -0.7750000 0.2250000 0.2250000), wk = 0.0000000
|
|
k( 375) = ( -0.8000000 0.2000000 0.2000000), wk = 0.0000000
|
|
k( 376) = ( -0.8250000 0.1750000 0.1750000), wk = 0.0000000
|
|
k( 377) = ( -0.8500000 0.1500000 0.1500000), wk = 0.0000000
|
|
k( 378) = ( -0.8750000 0.1250000 0.1250000), wk = 0.0000000
|
|
k( 379) = ( -0.9000000 0.1000000 0.1000000), wk = 0.0000000
|
|
k( 380) = ( -0.9250000 0.0750000 0.0750000), wk = 0.0000000
|
|
k( 381) = ( -0.9500000 0.0500000 0.0500000), wk = 0.0000000
|
|
k( 382) = ( -0.9750000 0.0250000 0.0250000), wk = 0.0000000
|
|
k( 383) = ( -1.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 384) = ( -1.0000000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 385) = ( -1.0000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 386) = ( -1.0000000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 387) = ( -1.0000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 388) = ( -1.0000000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 389) = ( -1.0000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 390) = ( -1.0000000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 391) = ( -1.0000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 392) = ( -1.0000000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 393) = ( -1.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 394) = ( -1.0000000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 395) = ( -1.0000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 396) = ( -1.0000000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 397) = ( -1.0000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 398) = ( -1.0000000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 399) = ( -1.0000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 400) = ( -1.0000000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 401) = ( -1.0000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 402) = ( -1.0000000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 403) = ( -1.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 404) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 405) = ( -0.0333333 0.9666667 0.0000000), wk = 0.0000000
|
|
k( 406) = ( -0.0666667 0.9333333 0.0000000), wk = 0.0000000
|
|
k( 407) = ( -0.1000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 408) = ( -0.1333333 0.8666667 0.0000000), wk = 0.0000000
|
|
k( 409) = ( -0.1666667 0.8333333 0.0000000), wk = 0.0000000
|
|
k( 410) = ( -0.2000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 411) = ( -0.2333333 0.7666667 0.0000000), wk = 0.0000000
|
|
k( 412) = ( -0.2666667 0.7333333 0.0000000), wk = 0.0000000
|
|
k( 413) = ( -0.3000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 414) = ( -0.3333333 0.6666667 0.0000000), wk = 0.0000000
|
|
k( 415) = ( -0.3666667 0.6333333 0.0000000), wk = 0.0000000
|
|
k( 416) = ( -0.4000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 417) = ( -0.4333333 0.5666667 0.0000000), wk = 0.0000000
|
|
k( 418) = ( -0.4666667 0.5333333 0.0000000), wk = 0.0000000
|
|
k( 419) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 420) = ( -0.5333333 0.4666667 0.0000000), wk = 0.0000000
|
|
k( 421) = ( -0.5666667 0.4333333 0.0000000), wk = 0.0000000
|
|
k( 422) = ( -0.6000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 423) = ( -0.6333333 0.3666667 0.0000000), wk = 0.0000000
|
|
k( 424) = ( -0.6666667 0.3333333 0.0000000), wk = 0.0000000
|
|
k( 425) = ( -0.7000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 426) = ( -0.7333333 0.2666667 0.0000000), wk = 0.0000000
|
|
k( 427) = ( -0.7666667 0.2333333 0.0000000), wk = 0.0000000
|
|
k( 428) = ( -0.8000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 429) = ( -0.8333333 0.1666667 0.0000000), wk = 0.0000000
|
|
k( 430) = ( -0.8666667 0.1333333 0.0000000), wk = 0.0000000
|
|
k( 431) = ( -0.9000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 432) = ( -0.9333333 0.0666667 0.0000000), wk = 0.0000000
|
|
k( 433) = ( -0.9666667 0.0333333 0.0000000), wk = 0.0000000
|
|
k( 434) = ( -1.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 435) = ( 0.5000000 0.5000000 1.5000000), wk = 0.0000000
|
|
k( 436) = ( 0.4750000 0.4750000 1.4750000), wk = 0.0000000
|
|
k( 437) = ( 0.4500000 0.4500000 1.4500000), wk = 0.0000000
|
|
k( 438) = ( 0.4250000 0.4250000 1.4250000), wk = 0.0000000
|
|
k( 439) = ( 0.4000000 0.4000000 1.4000000), wk = 0.0000000
|
|
k( 440) = ( 0.3750000 0.3750000 1.3750000), wk = 0.0000000
|
|
k( 441) = ( 0.3500000 0.3500000 1.3500000), wk = 0.0000000
|
|
k( 442) = ( 0.3250000 0.3250000 1.3250000), wk = 0.0000000
|
|
k( 443) = ( 0.3000000 0.3000000 1.3000000), wk = 0.0000000
|
|
k( 444) = ( 0.2750000 0.2750000 1.2750000), wk = 0.0000000
|
|
k( 445) = ( 0.2500000 0.2500000 1.2500000), wk = 0.0000000
|
|
k( 446) = ( 0.2250000 0.2250000 1.2250000), wk = 0.0000000
|
|
k( 447) = ( 0.2000000 0.2000000 1.2000000), wk = 0.0000000
|
|
k( 448) = ( 0.1750000 0.1750000 1.1750000), wk = 0.0000000
|
|
k( 449) = ( 0.1500000 0.1500000 1.1500000), wk = 0.0000000
|
|
k( 450) = ( 0.1250000 0.1250000 1.1250000), wk = 0.0000000
|
|
k( 451) = ( 0.1000000 0.1000000 1.1000000), wk = 0.0000000
|
|
k( 452) = ( 0.0750000 0.0750000 1.0750000), wk = 0.0000000
|
|
k( 453) = ( 0.0500000 0.0500000 1.0500000), wk = 0.0000000
|
|
k( 454) = ( 0.0250000 0.0250000 1.0250000), wk = 0.0000000
|
|
k( 455) = ( 0.0000000 0.0000000 1.0000000), wk = 0.0000000
|
|
k( 456) = ( 0.0000000 0.0500000 1.0000000), wk = 0.0000000
|
|
k( 457) = ( 0.0000000 0.1000000 1.0000000), wk = 0.0000000
|
|
k( 458) = ( 0.0000000 0.1500000 1.0000000), wk = 0.0000000
|
|
k( 459) = ( 0.0000000 0.2000000 1.0000000), wk = 0.0000000
|
|
k( 460) = ( 0.0000000 0.2500000 1.0000000), wk = 0.0000000
|
|
k( 461) = ( 0.0000000 0.3000000 1.0000000), wk = 0.0000000
|
|
k( 462) = ( 0.0000000 0.3500000 1.0000000), wk = 0.0000000
|
|
k( 463) = ( 0.0000000 0.4000000 1.0000000), wk = 0.0000000
|
|
k( 464) = ( 0.0000000 0.4500000 1.0000000), wk = 0.0000000
|
|
k( 465) = ( 0.0000000 0.5000000 1.0000000), wk = 0.0000000
|
|
k( 466) = ( 0.0000000 0.5500000 1.0000000), wk = 0.0000000
|
|
k( 467) = ( 0.0000000 0.6000000 1.0000000), wk = 0.0000000
|
|
k( 468) = ( 0.0000000 0.6500000 1.0000000), wk = 0.0000000
|
|
k( 469) = ( 0.0000000 0.7000000 1.0000000), wk = 0.0000000
|
|
k( 470) = ( 0.0000000 0.7500000 1.0000000), wk = 0.0000000
|
|
k( 471) = ( 0.0000000 0.8000000 1.0000000), wk = 0.0000000
|
|
k( 472) = ( 0.0000000 0.8500000 1.0000000), wk = 0.0000000
|
|
k( 473) = ( 0.0000000 0.9000000 1.0000000), wk = 0.0000000
|
|
k( 474) = ( 0.0000000 0.9500000 1.0000000), wk = 0.0000000
|
|
k( 475) = ( 0.0000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 476) = ( 1.0000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 477) = ( 0.9666667 0.9666667 1.0000000), wk = 0.0000000
|
|
k( 478) = ( 0.9333333 0.9333333 1.0000000), wk = 0.0000000
|
|
k( 479) = ( 0.9000000 0.9000000 1.0000000), wk = 0.0000000
|
|
k( 480) = ( 0.8666667 0.8666667 1.0000000), wk = 0.0000000
|
|
k( 481) = ( 0.8333333 0.8333333 1.0000000), wk = 0.0000000
|
|
k( 482) = ( 0.8000000 0.8000000 1.0000000), wk = 0.0000000
|
|
k( 483) = ( 0.7666667 0.7666667 1.0000000), wk = 0.0000000
|
|
k( 484) = ( 0.7333333 0.7333333 1.0000000), wk = 0.0000000
|
|
k( 485) = ( 0.7000000 0.7000000 1.0000000), wk = 0.0000000
|
|
k( 486) = ( 0.6666667 0.6666667 1.0000000), wk = 0.0000000
|
|
k( 487) = ( 0.6333333 0.6333333 1.0000000), wk = 0.0000000
|
|
k( 488) = ( 0.6000000 0.6000000 1.0000000), wk = 0.0000000
|
|
k( 489) = ( 0.5666667 0.5666667 1.0000000), wk = 0.0000000
|
|
k( 490) = ( 0.5333333 0.5333333 1.0000000), wk = 0.0000000
|
|
k( 491) = ( 0.5000000 0.5000000 1.0000000), wk = 0.0000000
|
|
k( 492) = ( 0.4666667 0.4666667 1.0000000), wk = 0.0000000
|
|
k( 493) = ( 0.4333333 0.4333333 1.0000000), wk = 0.0000000
|
|
k( 494) = ( 0.4000000 0.4000000 1.0000000), wk = 0.0000000
|
|
k( 495) = ( 0.3666667 0.3666667 1.0000000), wk = 0.0000000
|
|
k( 496) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0000000
|
|
k( 497) = ( 0.3000000 0.3000000 1.0000000), wk = 0.0000000
|
|
k( 498) = ( 0.2666667 0.2666667 1.0000000), wk = 0.0000000
|
|
k( 499) = ( 0.2333333 0.2333333 1.0000000), wk = 0.0000000
|
|
k( 500) = ( 0.2000000 0.2000000 1.0000000), wk = 0.0000000
|
|
k( 501) = ( 0.1666667 0.1666667 1.0000000), wk = 0.0000000
|
|
k( 502) = ( 0.1333333 0.1333333 1.0000000), wk = 0.0000000
|
|
k( 503) = ( 0.1000000 0.1000000 1.0000000), wk = 0.0000000
|
|
k( 504) = ( 0.0666667 0.0666667 1.0000000), wk = 0.0000000
|
|
k( 505) = ( 0.0333333 0.0333333 1.0000000), wk = 0.0000000
|
|
k( 506) = ( 0.0000000 0.0000000 1.0000000), wk = 0.0000000
|
|
k( 507) = ( 0.0000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 508) = ( -0.0250000 0.9750000 0.9750000), wk = 0.0000000
|
|
k( 509) = ( -0.0500000 0.9500000 0.9500000), wk = 0.0000000
|
|
k( 510) = ( -0.0750000 0.9250000 0.9250000), wk = 0.0000000
|
|
k( 511) = ( -0.1000000 0.9000000 0.9000000), wk = 0.0000000
|
|
k( 512) = ( -0.1250000 0.8750000 0.8750000), wk = 0.0000000
|
|
k( 513) = ( -0.1500000 0.8500000 0.8500000), wk = 0.0000000
|
|
k( 514) = ( -0.1750000 0.8250000 0.8250000), wk = 0.0000000
|
|
k( 515) = ( -0.2000000 0.8000000 0.8000000), wk = 0.0000000
|
|
k( 516) = ( -0.2250000 0.7750000 0.7750000), wk = 0.0000000
|
|
k( 517) = ( -0.2500000 0.7500000 0.7500000), wk = 0.0000000
|
|
k( 518) = ( -0.2750000 0.7250000 0.7250000), wk = 0.0000000
|
|
k( 519) = ( -0.3000000 0.7000000 0.7000000), wk = 0.0000000
|
|
k( 520) = ( -0.3250000 0.6750000 0.6750000), wk = 0.0000000
|
|
k( 521) = ( -0.3500000 0.6500000 0.6500000), wk = 0.0000000
|
|
k( 522) = ( -0.3750000 0.6250000 0.6250000), wk = 0.0000000
|
|
k( 523) = ( -0.4000000 0.6000000 0.6000000), wk = 0.0000000
|
|
k( 524) = ( -0.4250000 0.5750000 0.5750000), wk = 0.0000000
|
|
k( 525) = ( -0.4500000 0.5500000 0.5500000), wk = 0.0000000
|
|
k( 526) = ( -0.4750000 0.5250000 0.5250000), wk = 0.0000000
|
|
k( 527) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 528) = ( -0.5000000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 529) = ( -0.5000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 530) = ( -0.5000000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 531) = ( -0.5000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 532) = ( -0.5000000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 533) = ( -0.5000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 534) = ( -0.5000000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 535) = ( -0.5000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 536) = ( -0.5000000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 537) = ( -0.5000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 538) = ( -0.5000000 1.0500000 0.5000000), wk = 0.0000000
|
|
k( 539) = ( -0.5000000 1.1000000 0.5000000), wk = 0.0000000
|
|
k( 540) = ( -0.5000000 1.1500000 0.5000000), wk = 0.0000000
|
|
k( 541) = ( -0.5000000 1.2000000 0.5000000), wk = 0.0000000
|
|
k( 542) = ( -0.5000000 1.2500000 0.5000000), wk = 0.0000000
|
|
k( 543) = ( -0.5000000 1.3000000 0.5000000), wk = 0.0000000
|
|
k( 544) = ( -0.5000000 1.3500000 0.5000000), wk = 0.0000000
|
|
k( 545) = ( -0.5000000 1.4000000 0.5000000), wk = 0.0000000
|
|
k( 546) = ( -0.5000000 1.4500000 0.5000000), wk = 0.0000000
|
|
k( 547) = ( -0.5000000 1.5000000 0.5000000), wk = 0.0000000
|
|
k( 548) = ( 0.5000000 1.5000000 0.5000000), wk = 0.0000000
|
|
k( 549) = ( 0.4666667 1.4666667 0.5000000), wk = 0.0000000
|
|
k( 550) = ( 0.4333333 1.4333333 0.5000000), wk = 0.0000000
|
|
k( 551) = ( 0.4000000 1.4000000 0.5000000), wk = 0.0000000
|
|
k( 552) = ( 0.3666667 1.3666667 0.5000000), wk = 0.0000000
|
|
k( 553) = ( 0.3333333 1.3333333 0.5000000), wk = 0.0000000
|
|
k( 554) = ( 0.3000000 1.3000000 0.5000000), wk = 0.0000000
|
|
k( 555) = ( 0.2666667 1.2666667 0.5000000), wk = 0.0000000
|
|
k( 556) = ( 0.2333333 1.2333333 0.5000000), wk = 0.0000000
|
|
k( 557) = ( 0.2000000 1.2000000 0.5000000), wk = 0.0000000
|
|
k( 558) = ( 0.1666667 1.1666667 0.5000000), wk = 0.0000000
|
|
k( 559) = ( 0.1333333 1.1333333 0.5000000), wk = 0.0000000
|
|
k( 560) = ( 0.1000000 1.1000000 0.5000000), wk = 0.0000000
|
|
k( 561) = ( 0.0666667 1.0666667 0.5000000), wk = 0.0000000
|
|
k( 562) = ( 0.0333333 1.0333333 0.5000000), wk = 0.0000000
|
|
k( 563) = ( 0.0000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 564) = ( -0.0333333 0.9666667 0.5000000), wk = 0.0000000
|
|
k( 565) = ( -0.0666667 0.9333333 0.5000000), wk = 0.0000000
|
|
k( 566) = ( -0.1000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 567) = ( -0.1333333 0.8666667 0.5000000), wk = 0.0000000
|
|
k( 568) = ( -0.1666667 0.8333333 0.5000000), wk = 0.0000000
|
|
k( 569) = ( -0.2000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 570) = ( -0.2333333 0.7666667 0.5000000), wk = 0.0000000
|
|
k( 571) = ( -0.2666667 0.7333333 0.5000000), wk = 0.0000000
|
|
k( 572) = ( -0.3000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 573) = ( -0.3333333 0.6666667 0.5000000), wk = 0.0000000
|
|
k( 574) = ( -0.3666667 0.6333333 0.5000000), wk = 0.0000000
|
|
k( 575) = ( -0.4000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 576) = ( -0.4333333 0.5666667 0.5000000), wk = 0.0000000
|
|
k( 577) = ( -0.4666667 0.5333333 0.5000000), wk = 0.0000000
|
|
k( 578) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
|
|
cryst. coord.
|
|
k( 1) = ( 0.2500000 0.2500000 0.2500000), wk = 0.5000000
|
|
k( 2) = ( 0.2500000 0.2500000 -0.2500000), wk = 1.5000000
|
|
k( 3) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 4) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0000000
|
|
k( 5) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 6) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0000000
|
|
k( 7) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 8) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0000000
|
|
k( 9) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 10) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0000000
|
|
k( 11) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 12) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0000000
|
|
k( 13) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 14) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0000000
|
|
k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 16) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0000000
|
|
k( 17) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 18) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0000000
|
|
k( 19) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 20) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0000000
|
|
k( 21) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 22) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0000000
|
|
k( 23) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 24) = ( 0.0000000 0.0250000 0.0250000), wk = 0.0000000
|
|
k( 25) = ( 0.0000000 0.0500000 0.0500000), wk = 0.0000000
|
|
k( 26) = ( 0.0000000 0.0750000 0.0750000), wk = 0.0000000
|
|
k( 27) = ( 0.0000000 0.1000000 0.1000000), wk = 0.0000000
|
|
k( 28) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0000000
|
|
k( 29) = ( 0.0000000 0.1500000 0.1500000), wk = 0.0000000
|
|
k( 30) = ( 0.0000000 0.1750000 0.1750000), wk = 0.0000000
|
|
k( 31) = ( 0.0000000 0.2000000 0.2000000), wk = 0.0000000
|
|
k( 32) = ( 0.0000000 0.2250000 0.2250000), wk = 0.0000000
|
|
k( 33) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0000000
|
|
k( 34) = ( 0.0000000 0.2750000 0.2750000), wk = 0.0000000
|
|
k( 35) = ( 0.0000000 0.3000000 0.3000000), wk = 0.0000000
|
|
k( 36) = ( 0.0000000 0.3250000 0.3250000), wk = 0.0000000
|
|
k( 37) = ( 0.0000000 0.3500000 0.3500000), wk = 0.0000000
|
|
k( 38) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0000000
|
|
k( 39) = ( 0.0000000 0.4000000 0.4000000), wk = 0.0000000
|
|
k( 40) = ( 0.0000000 0.4250000 0.4250000), wk = 0.0000000
|
|
k( 41) = ( 0.0000000 0.4500000 0.4500000), wk = 0.0000000
|
|
k( 42) = ( 0.0000000 0.4750000 0.4750000), wk = 0.0000000
|
|
k( 43) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 44) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 45) = ( -0.4833333 0.4833333 0.0000000), wk = 0.0000000
|
|
k( 46) = ( -0.4666667 0.4666667 0.0000000), wk = 0.0000000
|
|
k( 47) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 48) = ( -0.4333333 0.4333333 0.0000000), wk = 0.0000000
|
|
k( 49) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0000000
|
|
k( 50) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 51) = ( -0.3833333 0.3833333 0.0000000), wk = 0.0000000
|
|
k( 52) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0000000
|
|
k( 53) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 54) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0000000
|
|
k( 55) = ( -0.3166667 0.3166667 0.0000000), wk = 0.0000000
|
|
k( 56) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 57) = ( -0.2833333 0.2833333 0.0000000), wk = 0.0000000
|
|
k( 58) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0000000
|
|
k( 59) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 60) = ( -0.2333333 0.2333333 0.0000000), wk = 0.0000000
|
|
k( 61) = ( -0.2166667 0.2166667 0.0000000), wk = 0.0000000
|
|
k( 62) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 63) = ( -0.1833333 0.1833333 0.0000000), wk = 0.0000000
|
|
k( 64) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0000000
|
|
k( 65) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 66) = ( -0.1333333 0.1333333 0.0000000), wk = 0.0000000
|
|
k( 67) = ( -0.1166667 0.1166667 0.0000000), wk = 0.0000000
|
|
k( 68) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 69) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0000000
|
|
k( 70) = ( -0.0666667 0.0666667 0.0000000), wk = 0.0000000
|
|
k( 71) = ( -0.0500000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 72) = ( -0.0333333 0.0333333 0.0000000), wk = 0.0000000
|
|
k( 73) = ( -0.0166667 0.0166667 0.0000000), wk = 0.0000000
|
|
k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 75) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 76) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0000000
|
|
k( 77) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0000000
|
|
k( 78) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0000000
|
|
k( 79) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 80) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0000000
|
|
k( 81) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0000000
|
|
k( 82) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0000000
|
|
k( 83) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 84) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0000000
|
|
k( 85) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0000000
|
|
k( 86) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0000000
|
|
k( 87) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 88) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0000000
|
|
k( 89) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0000000
|
|
k( 90) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0000000
|
|
k( 91) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 92) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0000000
|
|
k( 93) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0000000
|
|
k( 94) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0000000
|
|
k( 95) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 96) = ( 0.0000000 0.0250000 0.5250000), wk = 0.0000000
|
|
k( 97) = ( 0.0000000 0.0500000 0.5500000), wk = 0.0000000
|
|
k( 98) = ( 0.0000000 0.0750000 0.5750000), wk = 0.0000000
|
|
k( 99) = ( 0.0000000 0.1000000 0.6000000), wk = 0.0000000
|
|
k( 100) = ( 0.0000000 0.1250000 0.6250000), wk = 0.0000000
|
|
k( 101) = ( 0.0000000 0.1500000 0.6500000), wk = 0.0000000
|
|
k( 102) = ( 0.0000000 0.1750000 0.6750000), wk = 0.0000000
|
|
k( 103) = ( 0.0000000 0.2000000 0.7000000), wk = 0.0000000
|
|
k( 104) = ( 0.0000000 0.2250000 0.7250000), wk = 0.0000000
|
|
k( 105) = ( 0.0000000 0.2500000 0.7500000), wk = 0.0000000
|
|
k( 106) = ( 0.0000000 0.2750000 0.7750000), wk = 0.0000000
|
|
k( 107) = ( 0.0000000 0.3000000 0.8000000), wk = 0.0000000
|
|
k( 108) = ( 0.0000000 0.3250000 0.8250000), wk = 0.0000000
|
|
k( 109) = ( 0.0000000 0.3500000 0.8500000), wk = 0.0000000
|
|
k( 110) = ( 0.0000000 0.3750000 0.8750000), wk = 0.0000000
|
|
k( 111) = ( 0.0000000 0.4000000 0.9000000), wk = 0.0000000
|
|
k( 112) = ( 0.0000000 0.4250000 0.9250000), wk = 0.0000000
|
|
k( 113) = ( 0.0000000 0.4500000 0.9500000), wk = 0.0000000
|
|
k( 114) = ( 0.0000000 0.4750000 0.9750000), wk = 0.0000000
|
|
k( 115) = ( 0.0000000 0.5000000 1.0000000), wk = 0.0000000
|
|
k( 116) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 117) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0000000
|
|
k( 118) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0000000
|
|
k( 119) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0000000
|
|
k( 120) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0000000
|
|
k( 121) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0000000
|
|
k( 122) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 123) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0000000
|
|
k( 124) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0000000
|
|
k( 125) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0000000
|
|
k( 126) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0000000
|
|
k( 127) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0000000
|
|
k( 128) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 129) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0000000
|
|
k( 130) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0000000
|
|
k( 131) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0000000
|
|
k( 132) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0000000
|
|
k( 133) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0000000
|
|
k( 134) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 135) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0000000
|
|
k( 136) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0000000
|
|
k( 137) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0000000
|
|
k( 138) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0000000
|
|
k( 139) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0000000
|
|
k( 140) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 141) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0000000
|
|
k( 142) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0000000
|
|
k( 143) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0000000
|
|
k( 144) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0000000
|
|
k( 145) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0000000
|
|
k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 147) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 148) = ( 0.0000000 0.9750000 0.0000000), wk = 0.0000000
|
|
k( 149) = ( 0.0000000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 150) = ( 0.0000000 0.9250000 0.0000000), wk = 0.0000000
|
|
k( 151) = ( 0.0000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 152) = ( 0.0000000 0.8750000 0.0000000), wk = 0.0000000
|
|
k( 153) = ( 0.0000000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 154) = ( 0.0000000 0.8250000 0.0000000), wk = 0.0000000
|
|
k( 155) = ( 0.0000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 156) = ( 0.0000000 0.7750000 0.0000000), wk = 0.0000000
|
|
k( 157) = ( 0.0000000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 158) = ( 0.0000000 0.7250000 0.0000000), wk = 0.0000000
|
|
k( 159) = ( 0.0000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 160) = ( 0.0000000 0.6750000 0.0000000), wk = 0.0000000
|
|
k( 161) = ( 0.0000000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 162) = ( 0.0000000 0.6250000 0.0000000), wk = 0.0000000
|
|
k( 163) = ( 0.0000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 164) = ( 0.0000000 0.5750000 0.0000000), wk = 0.0000000
|
|
k( 165) = ( 0.0000000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 166) = ( 0.0000000 0.5250000 0.0000000), wk = 0.0000000
|
|
k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 168) = ( 0.0000000 0.5250000 0.0250000), wk = 0.0000000
|
|
k( 169) = ( 0.0000000 0.5500000 0.0500000), wk = 0.0000000
|
|
k( 170) = ( 0.0000000 0.5750000 0.0750000), wk = 0.0000000
|
|
k( 171) = ( 0.0000000 0.6000000 0.1000000), wk = 0.0000000
|
|
k( 172) = ( 0.0000000 0.6250000 0.1250000), wk = 0.0000000
|
|
k( 173) = ( 0.0000000 0.6500000 0.1500000), wk = 0.0000000
|
|
k( 174) = ( 0.0000000 0.6750000 0.1750000), wk = 0.0000000
|
|
k( 175) = ( 0.0000000 0.7000000 0.2000000), wk = 0.0000000
|
|
k( 176) = ( 0.0000000 0.7250000 0.2250000), wk = 0.0000000
|
|
k( 177) = ( 0.0000000 0.7500000 0.2500000), wk = 0.0000000
|
|
k( 178) = ( 0.0000000 0.7750000 0.2750000), wk = 0.0000000
|
|
k( 179) = ( 0.0000000 0.8000000 0.3000000), wk = 0.0000000
|
|
k( 180) = ( 0.0000000 0.8250000 0.3250000), wk = 0.0000000
|
|
k( 181) = ( 0.0000000 0.8500000 0.3500000), wk = 0.0000000
|
|
k( 182) = ( 0.0000000 0.8750000 0.3750000), wk = 0.0000000
|
|
k( 183) = ( 0.0000000 0.9000000 0.4000000), wk = 0.0000000
|
|
k( 184) = ( 0.0000000 0.9250000 0.4250000), wk = 0.0000000
|
|
k( 185) = ( 0.0000000 0.9500000 0.4500000), wk = 0.0000000
|
|
k( 186) = ( 0.0000000 0.9750000 0.4750000), wk = 0.0000000
|
|
k( 187) = ( 0.0000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 188) = ( -0.5000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 189) = ( -0.4833333 0.9833333 0.0000000), wk = 0.0000000
|
|
k( 190) = ( -0.4666667 0.9666667 0.0000000), wk = 0.0000000
|
|
k( 191) = ( -0.4500000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 192) = ( -0.4333333 0.9333333 0.0000000), wk = 0.0000000
|
|
k( 193) = ( -0.4166667 0.9166667 0.0000000), wk = 0.0000000
|
|
k( 194) = ( -0.4000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 195) = ( -0.3833333 0.8833333 0.0000000), wk = 0.0000000
|
|
k( 196) = ( -0.3666667 0.8666667 0.0000000), wk = 0.0000000
|
|
k( 197) = ( -0.3500000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 198) = ( -0.3333333 0.8333333 0.0000000), wk = 0.0000000
|
|
k( 199) = ( -0.3166667 0.8166667 0.0000000), wk = 0.0000000
|
|
k( 200) = ( -0.3000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 201) = ( -0.2833333 0.7833333 0.0000000), wk = 0.0000000
|
|
k( 202) = ( -0.2666667 0.7666667 0.0000000), wk = 0.0000000
|
|
k( 203) = ( -0.2500000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 204) = ( -0.2333333 0.7333333 0.0000000), wk = 0.0000000
|
|
k( 205) = ( -0.2166667 0.7166667 0.0000000), wk = 0.0000000
|
|
k( 206) = ( -0.2000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 207) = ( -0.1833333 0.6833333 0.0000000), wk = 0.0000000
|
|
k( 208) = ( -0.1666667 0.6666667 0.0000000), wk = 0.0000000
|
|
k( 209) = ( -0.1500000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 210) = ( -0.1333333 0.6333333 0.0000000), wk = 0.0000000
|
|
k( 211) = ( -0.1166667 0.6166667 0.0000000), wk = 0.0000000
|
|
k( 212) = ( -0.1000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 213) = ( -0.0833333 0.5833333 0.0000000), wk = 0.0000000
|
|
k( 214) = ( -0.0666667 0.5666667 0.0000000), wk = 0.0000000
|
|
k( 215) = ( -0.0500000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 216) = ( -0.0333333 0.5333333 0.0000000), wk = 0.0000000
|
|
k( 217) = ( -0.0166667 0.5166667 0.0000000), wk = 0.0000000
|
|
k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 219) = ( 0.0000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 220) = ( 0.0000000 0.9750000 0.5000000), wk = 0.0000000
|
|
k( 221) = ( 0.0000000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 222) = ( 0.0000000 0.9250000 0.5000000), wk = 0.0000000
|
|
k( 223) = ( 0.0000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 224) = ( 0.0000000 0.8750000 0.5000000), wk = 0.0000000
|
|
k( 225) = ( 0.0000000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 226) = ( 0.0000000 0.8250000 0.5000000), wk = 0.0000000
|
|
k( 227) = ( 0.0000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 228) = ( 0.0000000 0.7750000 0.5000000), wk = 0.0000000
|
|
k( 229) = ( 0.0000000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 230) = ( 0.0000000 0.7250000 0.5000000), wk = 0.0000000
|
|
k( 231) = ( 0.0000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 232) = ( 0.0000000 0.6750000 0.5000000), wk = 0.0000000
|
|
k( 233) = ( 0.0000000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 234) = ( 0.0000000 0.6250000 0.5000000), wk = 0.0000000
|
|
k( 235) = ( 0.0000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 236) = ( 0.0000000 0.5750000 0.5000000), wk = 0.0000000
|
|
k( 237) = ( 0.0000000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 238) = ( 0.0000000 0.5250000 0.5000000), wk = 0.0000000
|
|
k( 239) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 240) = ( 0.0000000 0.5250000 0.5250000), wk = 0.0000000
|
|
k( 241) = ( 0.0000000 0.5500000 0.5500000), wk = 0.0000000
|
|
k( 242) = ( 0.0000000 0.5750000 0.5750000), wk = 0.0000000
|
|
k( 243) = ( 0.0000000 0.6000000 0.6000000), wk = 0.0000000
|
|
k( 244) = ( 0.0000000 0.6250000 0.6250000), wk = 0.0000000
|
|
k( 245) = ( 0.0000000 0.6500000 0.6500000), wk = 0.0000000
|
|
k( 246) = ( 0.0000000 0.6750000 0.6750000), wk = 0.0000000
|
|
k( 247) = ( 0.0000000 0.7000000 0.7000000), wk = 0.0000000
|
|
k( 248) = ( 0.0000000 0.7250000 0.7250000), wk = 0.0000000
|
|
k( 249) = ( 0.0000000 0.7500000 0.7500000), wk = 0.0000000
|
|
k( 250) = ( 0.0000000 0.7750000 0.7750000), wk = 0.0000000
|
|
k( 251) = ( 0.0000000 0.8000000 0.8000000), wk = 0.0000000
|
|
k( 252) = ( 0.0000000 0.8250000 0.8250000), wk = 0.0000000
|
|
k( 253) = ( 0.0000000 0.8500000 0.8500000), wk = 0.0000000
|
|
k( 254) = ( 0.0000000 0.8750000 0.8750000), wk = 0.0000000
|
|
k( 255) = ( 0.0000000 0.9000000 0.9000000), wk = 0.0000000
|
|
k( 256) = ( 0.0000000 0.9250000 0.9250000), wk = 0.0000000
|
|
k( 257) = ( 0.0000000 0.9500000 0.9500000), wk = 0.0000000
|
|
k( 258) = ( 0.0000000 0.9750000 0.9750000), wk = 0.0000000
|
|
k( 259) = ( 0.0000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 260) = ( -0.5000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 261) = ( -0.4833333 0.9833333 0.5000000), wk = 0.0000000
|
|
k( 262) = ( -0.4666667 0.9666667 0.5000000), wk = 0.0000000
|
|
k( 263) = ( -0.4500000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 264) = ( -0.4333333 0.9333333 0.5000000), wk = 0.0000000
|
|
k( 265) = ( -0.4166667 0.9166667 0.5000000), wk = 0.0000000
|
|
k( 266) = ( -0.4000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 267) = ( -0.3833333 0.8833333 0.5000000), wk = 0.0000000
|
|
k( 268) = ( -0.3666667 0.8666667 0.5000000), wk = 0.0000000
|
|
k( 269) = ( -0.3500000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 270) = ( -0.3333333 0.8333333 0.5000000), wk = 0.0000000
|
|
k( 271) = ( -0.3166667 0.8166667 0.5000000), wk = 0.0000000
|
|
k( 272) = ( -0.3000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 273) = ( -0.2833333 0.7833333 0.5000000), wk = 0.0000000
|
|
k( 274) = ( -0.2666667 0.7666667 0.5000000), wk = 0.0000000
|
|
k( 275) = ( -0.2500000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 276) = ( -0.2333333 0.7333333 0.5000000), wk = 0.0000000
|
|
k( 277) = ( -0.2166667 0.7166667 0.5000000), wk = 0.0000000
|
|
k( 278) = ( -0.2000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 279) = ( -0.1833333 0.6833333 0.5000000), wk = 0.0000000
|
|
k( 280) = ( -0.1666667 0.6666667 0.5000000), wk = 0.0000000
|
|
k( 281) = ( -0.1500000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 282) = ( -0.1333333 0.6333333 0.5000000), wk = 0.0000000
|
|
k( 283) = ( -0.1166667 0.6166667 0.5000000), wk = 0.0000000
|
|
k( 284) = ( -0.1000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 285) = ( -0.0833333 0.5833333 0.5000000), wk = 0.0000000
|
|
k( 286) = ( -0.0666667 0.5666667 0.5000000), wk = 0.0000000
|
|
k( 287) = ( -0.0500000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 288) = ( -0.0333333 0.5333333 0.5000000), wk = 0.0000000
|
|
k( 289) = ( -0.0166667 0.5166667 0.5000000), wk = 0.0000000
|
|
k( 290) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 291) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 292) = ( 0.5000000 0.4750000 0.0000000), wk = 0.0000000
|
|
k( 293) = ( 0.5000000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 294) = ( 0.5000000 0.4250000 0.0000000), wk = 0.0000000
|
|
k( 295) = ( 0.5000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 296) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0000000
|
|
k( 297) = ( 0.5000000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 298) = ( 0.5000000 0.3250000 0.0000000), wk = 0.0000000
|
|
k( 299) = ( 0.5000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 300) = ( 0.5000000 0.2750000 0.0000000), wk = 0.0000000
|
|
k( 301) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 302) = ( 0.5000000 0.2250000 0.0000000), wk = 0.0000000
|
|
k( 303) = ( 0.5000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 304) = ( 0.5000000 0.1750000 0.0000000), wk = 0.0000000
|
|
k( 305) = ( 0.5000000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 306) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0000000
|
|
k( 307) = ( 0.5000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 308) = ( 0.5000000 0.0750000 0.0000000), wk = 0.0000000
|
|
k( 309) = ( 0.5000000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 310) = ( 0.5000000 0.0250000 0.0000000), wk = 0.0000000
|
|
k( 311) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 312) = ( 0.5000000 0.0250000 0.0250000), wk = 0.0000000
|
|
k( 313) = ( 0.5000000 0.0500000 0.0500000), wk = 0.0000000
|
|
k( 314) = ( 0.5000000 0.0750000 0.0750000), wk = 0.0000000
|
|
k( 315) = ( 0.5000000 0.1000000 0.1000000), wk = 0.0000000
|
|
k( 316) = ( 0.5000000 0.1250000 0.1250000), wk = 0.0000000
|
|
k( 317) = ( 0.5000000 0.1500000 0.1500000), wk = 0.0000000
|
|
k( 318) = ( 0.5000000 0.1750000 0.1750000), wk = 0.0000000
|
|
k( 319) = ( 0.5000000 0.2000000 0.2000000), wk = 0.0000000
|
|
k( 320) = ( 0.5000000 0.2250000 0.2250000), wk = 0.0000000
|
|
k( 321) = ( 0.5000000 0.2500000 0.2500000), wk = 0.0000000
|
|
k( 322) = ( 0.5000000 0.2750000 0.2750000), wk = 0.0000000
|
|
k( 323) = ( 0.5000000 0.3000000 0.3000000), wk = 0.0000000
|
|
k( 324) = ( 0.5000000 0.3250000 0.3250000), wk = 0.0000000
|
|
k( 325) = ( 0.5000000 0.3500000 0.3500000), wk = 0.0000000
|
|
k( 326) = ( 0.5000000 0.3750000 0.3750000), wk = 0.0000000
|
|
k( 327) = ( 0.5000000 0.4000000 0.4000000), wk = 0.0000000
|
|
k( 328) = ( 0.5000000 0.4250000 0.4250000), wk = 0.0000000
|
|
k( 329) = ( 0.5000000 0.4500000 0.4500000), wk = 0.0000000
|
|
k( 330) = ( 0.5000000 0.4750000 0.4750000), wk = 0.0000000
|
|
k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 332) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 333) = ( 0.0166667 0.4833333 0.0000000), wk = 0.0000000
|
|
k( 334) = ( 0.0333333 0.4666667 0.0000000), wk = 0.0000000
|
|
k( 335) = ( 0.0500000 0.4500000 0.0000000), wk = 0.0000000
|
|
k( 336) = ( 0.0666667 0.4333333 0.0000000), wk = 0.0000000
|
|
k( 337) = ( 0.0833333 0.4166667 0.0000000), wk = 0.0000000
|
|
k( 338) = ( 0.1000000 0.4000000 0.0000000), wk = 0.0000000
|
|
k( 339) = ( 0.1166667 0.3833333 0.0000000), wk = 0.0000000
|
|
k( 340) = ( 0.1333333 0.3666667 0.0000000), wk = 0.0000000
|
|
k( 341) = ( 0.1500000 0.3500000 0.0000000), wk = 0.0000000
|
|
k( 342) = ( 0.1666667 0.3333333 0.0000000), wk = 0.0000000
|
|
k( 343) = ( 0.1833333 0.3166667 0.0000000), wk = 0.0000000
|
|
k( 344) = ( 0.2000000 0.3000000 0.0000000), wk = 0.0000000
|
|
k( 345) = ( 0.2166667 0.2833333 0.0000000), wk = 0.0000000
|
|
k( 346) = ( 0.2333333 0.2666667 0.0000000), wk = 0.0000000
|
|
k( 347) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0000000
|
|
k( 348) = ( 0.2666667 0.2333333 0.0000000), wk = 0.0000000
|
|
k( 349) = ( 0.2833333 0.2166667 0.0000000), wk = 0.0000000
|
|
k( 350) = ( 0.3000000 0.2000000 0.0000000), wk = 0.0000000
|
|
k( 351) = ( 0.3166667 0.1833333 0.0000000), wk = 0.0000000
|
|
k( 352) = ( 0.3333333 0.1666667 0.0000000), wk = 0.0000000
|
|
k( 353) = ( 0.3500000 0.1500000 0.0000000), wk = 0.0000000
|
|
k( 354) = ( 0.3666667 0.1333333 0.0000000), wk = 0.0000000
|
|
k( 355) = ( 0.3833333 0.1166667 0.0000000), wk = 0.0000000
|
|
k( 356) = ( 0.4000000 0.1000000 0.0000000), wk = 0.0000000
|
|
k( 357) = ( 0.4166667 0.0833333 0.0000000), wk = 0.0000000
|
|
k( 358) = ( 0.4333333 0.0666667 0.0000000), wk = 0.0000000
|
|
k( 359) = ( 0.4500000 0.0500000 0.0000000), wk = 0.0000000
|
|
k( 360) = ( 0.4666667 0.0333333 0.0000000), wk = 0.0000000
|
|
k( 361) = ( 0.4833333 0.0166667 0.0000000), wk = 0.0000000
|
|
k( 362) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0000000
|
|
k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 364) = ( 0.5000000 0.4750000 0.5000000), wk = 0.0000000
|
|
k( 365) = ( 0.5000000 0.4500000 0.5000000), wk = 0.0000000
|
|
k( 366) = ( 0.5000000 0.4250000 0.5000000), wk = 0.0000000
|
|
k( 367) = ( 0.5000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 368) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0000000
|
|
k( 369) = ( 0.5000000 0.3500000 0.5000000), wk = 0.0000000
|
|
k( 370) = ( 0.5000000 0.3250000 0.5000000), wk = 0.0000000
|
|
k( 371) = ( 0.5000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 372) = ( 0.5000000 0.2750000 0.5000000), wk = 0.0000000
|
|
k( 373) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0000000
|
|
k( 374) = ( 0.5000000 0.2250000 0.5000000), wk = 0.0000000
|
|
k( 375) = ( 0.5000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 376) = ( 0.5000000 0.1750000 0.5000000), wk = 0.0000000
|
|
k( 377) = ( 0.5000000 0.1500000 0.5000000), wk = 0.0000000
|
|
k( 378) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0000000
|
|
k( 379) = ( 0.5000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 380) = ( 0.5000000 0.0750000 0.5000000), wk = 0.0000000
|
|
k( 381) = ( 0.5000000 0.0500000 0.5000000), wk = 0.0000000
|
|
k( 382) = ( 0.5000000 0.0250000 0.5000000), wk = 0.0000000
|
|
k( 383) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 384) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0000000
|
|
k( 385) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0000000
|
|
k( 386) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0000000
|
|
k( 387) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0000000
|
|
k( 388) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0000000
|
|
k( 389) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0000000
|
|
k( 390) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0000000
|
|
k( 391) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0000000
|
|
k( 392) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0000000
|
|
k( 393) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0000000
|
|
k( 394) = ( 0.5000000 0.2750000 0.7750000), wk = 0.0000000
|
|
k( 395) = ( 0.5000000 0.3000000 0.8000000), wk = 0.0000000
|
|
k( 396) = ( 0.5000000 0.3250000 0.8250000), wk = 0.0000000
|
|
k( 397) = ( 0.5000000 0.3500000 0.8500000), wk = 0.0000000
|
|
k( 398) = ( 0.5000000 0.3750000 0.8750000), wk = 0.0000000
|
|
k( 399) = ( 0.5000000 0.4000000 0.9000000), wk = 0.0000000
|
|
k( 400) = ( 0.5000000 0.4250000 0.9250000), wk = 0.0000000
|
|
k( 401) = ( 0.5000000 0.4500000 0.9500000), wk = 0.0000000
|
|
k( 402) = ( 0.5000000 0.4750000 0.9750000), wk = 0.0000000
|
|
k( 403) = ( 0.5000000 0.5000000 1.0000000), wk = 0.0000000
|
|
k( 404) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 405) = ( 0.0166667 0.4833333 0.5000000), wk = 0.0000000
|
|
k( 406) = ( 0.0333333 0.4666667 0.5000000), wk = 0.0000000
|
|
k( 407) = ( 0.0500000 0.4500000 0.5000000), wk = 0.0000000
|
|
k( 408) = ( 0.0666667 0.4333333 0.5000000), wk = 0.0000000
|
|
k( 409) = ( 0.0833333 0.4166667 0.5000000), wk = 0.0000000
|
|
k( 410) = ( 0.1000000 0.4000000 0.5000000), wk = 0.0000000
|
|
k( 411) = ( 0.1166667 0.3833333 0.5000000), wk = 0.0000000
|
|
k( 412) = ( 0.1333333 0.3666667 0.5000000), wk = 0.0000000
|
|
k( 413) = ( 0.1500000 0.3500000 0.5000000), wk = 0.0000000
|
|
k( 414) = ( 0.1666667 0.3333333 0.5000000), wk = 0.0000000
|
|
k( 415) = ( 0.1833333 0.3166667 0.5000000), wk = 0.0000000
|
|
k( 416) = ( 0.2000000 0.3000000 0.5000000), wk = 0.0000000
|
|
k( 417) = ( 0.2166667 0.2833333 0.5000000), wk = 0.0000000
|
|
k( 418) = ( 0.2333333 0.2666667 0.5000000), wk = 0.0000000
|
|
k( 419) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0000000
|
|
k( 420) = ( 0.2666667 0.2333333 0.5000000), wk = 0.0000000
|
|
k( 421) = ( 0.2833333 0.2166667 0.5000000), wk = 0.0000000
|
|
k( 422) = ( 0.3000000 0.2000000 0.5000000), wk = 0.0000000
|
|
k( 423) = ( 0.3166667 0.1833333 0.5000000), wk = 0.0000000
|
|
k( 424) = ( 0.3333333 0.1666667 0.5000000), wk = 0.0000000
|
|
k( 425) = ( 0.3500000 0.1500000 0.5000000), wk = 0.0000000
|
|
k( 426) = ( 0.3666667 0.1333333 0.5000000), wk = 0.0000000
|
|
k( 427) = ( 0.3833333 0.1166667 0.5000000), wk = 0.0000000
|
|
k( 428) = ( 0.4000000 0.1000000 0.5000000), wk = 0.0000000
|
|
k( 429) = ( 0.4166667 0.0833333 0.5000000), wk = 0.0000000
|
|
k( 430) = ( 0.4333333 0.0666667 0.5000000), wk = 0.0000000
|
|
k( 431) = ( 0.4500000 0.0500000 0.5000000), wk = 0.0000000
|
|
k( 432) = ( 0.4666667 0.0333333 0.5000000), wk = 0.0000000
|
|
k( 433) = ( 0.4833333 0.0166667 0.5000000), wk = 0.0000000
|
|
k( 434) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0000000
|
|
k( 435) = ( 0.5000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 436) = ( 0.5000000 0.9750000 0.0000000), wk = 0.0000000
|
|
k( 437) = ( 0.5000000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 438) = ( 0.5000000 0.9250000 0.0000000), wk = 0.0000000
|
|
k( 439) = ( 0.5000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 440) = ( 0.5000000 0.8750000 0.0000000), wk = 0.0000000
|
|
k( 441) = ( 0.5000000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 442) = ( 0.5000000 0.8250000 0.0000000), wk = 0.0000000
|
|
k( 443) = ( 0.5000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 444) = ( 0.5000000 0.7750000 0.0000000), wk = 0.0000000
|
|
k( 445) = ( 0.5000000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 446) = ( 0.5000000 0.7250000 0.0000000), wk = 0.0000000
|
|
k( 447) = ( 0.5000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 448) = ( 0.5000000 0.6750000 0.0000000), wk = 0.0000000
|
|
k( 449) = ( 0.5000000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 450) = ( 0.5000000 0.6250000 0.0000000), wk = 0.0000000
|
|
k( 451) = ( 0.5000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 452) = ( 0.5000000 0.5750000 0.0000000), wk = 0.0000000
|
|
k( 453) = ( 0.5000000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 454) = ( 0.5000000 0.5250000 0.0000000), wk = 0.0000000
|
|
k( 455) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 456) = ( 0.5000000 0.5250000 0.0250000), wk = 0.0000000
|
|
k( 457) = ( 0.5000000 0.5500000 0.0500000), wk = 0.0000000
|
|
k( 458) = ( 0.5000000 0.5750000 0.0750000), wk = 0.0000000
|
|
k( 459) = ( 0.5000000 0.6000000 0.1000000), wk = 0.0000000
|
|
k( 460) = ( 0.5000000 0.6250000 0.1250000), wk = 0.0000000
|
|
k( 461) = ( 0.5000000 0.6500000 0.1500000), wk = 0.0000000
|
|
k( 462) = ( 0.5000000 0.6750000 0.1750000), wk = 0.0000000
|
|
k( 463) = ( 0.5000000 0.7000000 0.2000000), wk = 0.0000000
|
|
k( 464) = ( 0.5000000 0.7250000 0.2250000), wk = 0.0000000
|
|
k( 465) = ( 0.5000000 0.7500000 0.2500000), wk = 0.0000000
|
|
k( 466) = ( 0.5000000 0.7750000 0.2750000), wk = 0.0000000
|
|
k( 467) = ( 0.5000000 0.8000000 0.3000000), wk = 0.0000000
|
|
k( 468) = ( 0.5000000 0.8250000 0.3250000), wk = 0.0000000
|
|
k( 469) = ( 0.5000000 0.8500000 0.3500000), wk = 0.0000000
|
|
k( 470) = ( 0.5000000 0.8750000 0.3750000), wk = 0.0000000
|
|
k( 471) = ( 0.5000000 0.9000000 0.4000000), wk = 0.0000000
|
|
k( 472) = ( 0.5000000 0.9250000 0.4250000), wk = 0.0000000
|
|
k( 473) = ( 0.5000000 0.9500000 0.4500000), wk = 0.0000000
|
|
k( 474) = ( 0.5000000 0.9750000 0.4750000), wk = 0.0000000
|
|
k( 475) = ( 0.5000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 476) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0000000
|
|
k( 477) = ( 0.0166667 0.9833333 0.0000000), wk = 0.0000000
|
|
k( 478) = ( 0.0333333 0.9666667 0.0000000), wk = 0.0000000
|
|
k( 479) = ( 0.0500000 0.9500000 0.0000000), wk = 0.0000000
|
|
k( 480) = ( 0.0666667 0.9333333 0.0000000), wk = 0.0000000
|
|
k( 481) = ( 0.0833333 0.9166667 0.0000000), wk = 0.0000000
|
|
k( 482) = ( 0.1000000 0.9000000 0.0000000), wk = 0.0000000
|
|
k( 483) = ( 0.1166667 0.8833333 0.0000000), wk = 0.0000000
|
|
k( 484) = ( 0.1333333 0.8666667 0.0000000), wk = 0.0000000
|
|
k( 485) = ( 0.1500000 0.8500000 0.0000000), wk = 0.0000000
|
|
k( 486) = ( 0.1666667 0.8333333 0.0000000), wk = 0.0000000
|
|
k( 487) = ( 0.1833333 0.8166667 0.0000000), wk = 0.0000000
|
|
k( 488) = ( 0.2000000 0.8000000 0.0000000), wk = 0.0000000
|
|
k( 489) = ( 0.2166667 0.7833333 0.0000000), wk = 0.0000000
|
|
k( 490) = ( 0.2333333 0.7666667 0.0000000), wk = 0.0000000
|
|
k( 491) = ( 0.2500000 0.7500000 0.0000000), wk = 0.0000000
|
|
k( 492) = ( 0.2666667 0.7333333 0.0000000), wk = 0.0000000
|
|
k( 493) = ( 0.2833333 0.7166667 0.0000000), wk = 0.0000000
|
|
k( 494) = ( 0.3000000 0.7000000 0.0000000), wk = 0.0000000
|
|
k( 495) = ( 0.3166667 0.6833333 0.0000000), wk = 0.0000000
|
|
k( 496) = ( 0.3333333 0.6666667 0.0000000), wk = 0.0000000
|
|
k( 497) = ( 0.3500000 0.6500000 0.0000000), wk = 0.0000000
|
|
k( 498) = ( 0.3666667 0.6333333 0.0000000), wk = 0.0000000
|
|
k( 499) = ( 0.3833333 0.6166667 0.0000000), wk = 0.0000000
|
|
k( 500) = ( 0.4000000 0.6000000 0.0000000), wk = 0.0000000
|
|
k( 501) = ( 0.4166667 0.5833333 0.0000000), wk = 0.0000000
|
|
k( 502) = ( 0.4333333 0.5666667 0.0000000), wk = 0.0000000
|
|
k( 503) = ( 0.4500000 0.5500000 0.0000000), wk = 0.0000000
|
|
k( 504) = ( 0.4666667 0.5333333 0.0000000), wk = 0.0000000
|
|
k( 505) = ( 0.4833333 0.5166667 0.0000000), wk = 0.0000000
|
|
k( 506) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0000000
|
|
k( 507) = ( 0.5000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 508) = ( 0.5000000 0.9750000 0.5000000), wk = 0.0000000
|
|
k( 509) = ( 0.5000000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 510) = ( 0.5000000 0.9250000 0.5000000), wk = 0.0000000
|
|
k( 511) = ( 0.5000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 512) = ( 0.5000000 0.8750000 0.5000000), wk = 0.0000000
|
|
k( 513) = ( 0.5000000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 514) = ( 0.5000000 0.8250000 0.5000000), wk = 0.0000000
|
|
k( 515) = ( 0.5000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 516) = ( 0.5000000 0.7750000 0.5000000), wk = 0.0000000
|
|
k( 517) = ( 0.5000000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 518) = ( 0.5000000 0.7250000 0.5000000), wk = 0.0000000
|
|
k( 519) = ( 0.5000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 520) = ( 0.5000000 0.6750000 0.5000000), wk = 0.0000000
|
|
k( 521) = ( 0.5000000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 522) = ( 0.5000000 0.6250000 0.5000000), wk = 0.0000000
|
|
k( 523) = ( 0.5000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 524) = ( 0.5000000 0.5750000 0.5000000), wk = 0.0000000
|
|
k( 525) = ( 0.5000000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 526) = ( 0.5000000 0.5250000 0.5000000), wk = 0.0000000
|
|
k( 527) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
k( 528) = ( 0.5000000 0.5250000 0.5250000), wk = 0.0000000
|
|
k( 529) = ( 0.5000000 0.5500000 0.5500000), wk = 0.0000000
|
|
k( 530) = ( 0.5000000 0.5750000 0.5750000), wk = 0.0000000
|
|
k( 531) = ( 0.5000000 0.6000000 0.6000000), wk = 0.0000000
|
|
k( 532) = ( 0.5000000 0.6250000 0.6250000), wk = 0.0000000
|
|
k( 533) = ( 0.5000000 0.6500000 0.6500000), wk = 0.0000000
|
|
k( 534) = ( 0.5000000 0.6750000 0.6750000), wk = 0.0000000
|
|
k( 535) = ( 0.5000000 0.7000000 0.7000000), wk = 0.0000000
|
|
k( 536) = ( 0.5000000 0.7250000 0.7250000), wk = 0.0000000
|
|
k( 537) = ( 0.5000000 0.7500000 0.7500000), wk = 0.0000000
|
|
k( 538) = ( 0.5000000 0.7750000 0.7750000), wk = 0.0000000
|
|
k( 539) = ( 0.5000000 0.8000000 0.8000000), wk = 0.0000000
|
|
k( 540) = ( 0.5000000 0.8250000 0.8250000), wk = 0.0000000
|
|
k( 541) = ( 0.5000000 0.8500000 0.8500000), wk = 0.0000000
|
|
k( 542) = ( 0.5000000 0.8750000 0.8750000), wk = 0.0000000
|
|
k( 543) = ( 0.5000000 0.9000000 0.9000000), wk = 0.0000000
|
|
k( 544) = ( 0.5000000 0.9250000 0.9250000), wk = 0.0000000
|
|
k( 545) = ( 0.5000000 0.9500000 0.9500000), wk = 0.0000000
|
|
k( 546) = ( 0.5000000 0.9750000 0.9750000), wk = 0.0000000
|
|
k( 547) = ( 0.5000000 1.0000000 1.0000000), wk = 0.0000000
|
|
k( 548) = ( 0.0000000 1.0000000 0.5000000), wk = 0.0000000
|
|
k( 549) = ( 0.0166667 0.9833333 0.5000000), wk = 0.0000000
|
|
k( 550) = ( 0.0333333 0.9666667 0.5000000), wk = 0.0000000
|
|
k( 551) = ( 0.0500000 0.9500000 0.5000000), wk = 0.0000000
|
|
k( 552) = ( 0.0666667 0.9333333 0.5000000), wk = 0.0000000
|
|
k( 553) = ( 0.0833333 0.9166667 0.5000000), wk = 0.0000000
|
|
k( 554) = ( 0.1000000 0.9000000 0.5000000), wk = 0.0000000
|
|
k( 555) = ( 0.1166667 0.8833333 0.5000000), wk = 0.0000000
|
|
k( 556) = ( 0.1333333 0.8666667 0.5000000), wk = 0.0000000
|
|
k( 557) = ( 0.1500000 0.8500000 0.5000000), wk = 0.0000000
|
|
k( 558) = ( 0.1666667 0.8333333 0.5000000), wk = 0.0000000
|
|
k( 559) = ( 0.1833333 0.8166667 0.5000000), wk = 0.0000000
|
|
k( 560) = ( 0.2000000 0.8000000 0.5000000), wk = 0.0000000
|
|
k( 561) = ( 0.2166667 0.7833333 0.5000000), wk = 0.0000000
|
|
k( 562) = ( 0.2333333 0.7666667 0.5000000), wk = 0.0000000
|
|
k( 563) = ( 0.2500000 0.7500000 0.5000000), wk = 0.0000000
|
|
k( 564) = ( 0.2666667 0.7333333 0.5000000), wk = 0.0000000
|
|
k( 565) = ( 0.2833333 0.7166667 0.5000000), wk = 0.0000000
|
|
k( 566) = ( 0.3000000 0.7000000 0.5000000), wk = 0.0000000
|
|
k( 567) = ( 0.3166667 0.6833333 0.5000000), wk = 0.0000000
|
|
k( 568) = ( 0.3333333 0.6666667 0.5000000), wk = 0.0000000
|
|
k( 569) = ( 0.3500000 0.6500000 0.5000000), wk = 0.0000000
|
|
k( 570) = ( 0.3666667 0.6333333 0.5000000), wk = 0.0000000
|
|
k( 571) = ( 0.3833333 0.6166667 0.5000000), wk = 0.0000000
|
|
k( 572) = ( 0.4000000 0.6000000 0.5000000), wk = 0.0000000
|
|
k( 573) = ( 0.4166667 0.5833333 0.5000000), wk = 0.0000000
|
|
k( 574) = ( 0.4333333 0.5666667 0.5000000), wk = 0.0000000
|
|
k( 575) = ( 0.4500000 0.5500000 0.5000000), wk = 0.0000000
|
|
k( 576) = ( 0.4666667 0.5333333 0.5000000), wk = 0.0000000
|
|
k( 577) = ( 0.4833333 0.5166667 0.5000000), wk = 0.0000000
|
|
k( 578) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0000000
|
|
|
|
Dense grid: 2733 G-vectors FFT dimensions: ( 20, 20, 20)
|
|
|
|
Dynamical RAM for wfc: 0.04 MB
|
|
|
|
Dynamical RAM for wfc (w. buffer): 24.17 MB
|
|
|
|
Dynamical RAM for EXX: 393.32 MB
|
|
|
|
Dynamical RAM for str. fact: 0.04 MB
|
|
|
|
Dynamical RAM for local pot: 0.00 MB
|
|
|
|
Dynamical RAM for nlocal pot: 0.04 MB
|
|
|
|
Dynamical RAM for qrad: 0.08 MB
|
|
|
|
Dynamical RAM for rho,v,vnew: 0.31 MB
|
|
|
|
Dynamical RAM for rhoin: 0.10 MB
|
|
|
|
Dynamical RAM for rho*nmix: 0.67 MB
|
|
|
|
Dynamical RAM for G-vectors: 0.18 MB
|
|
|
|
Dynamical RAM for h,s,v(r/c): 0.01 MB
|
|
|
|
Dynamical RAM for <psi|beta>: 0.00 MB
|
|
|
|
Dynamical RAM for psi: 0.08 MB
|
|
|
|
Dynamical RAM for hpsi: 0.08 MB
|
|
|
|
Dynamical RAM for wfcinit/wfcrot: 0.09 MB
|
|
|
|
Estimated static dynamical RAM per process > 418.63 MB
|
|
|
|
Estimated max dynamical RAM per process > 419.47 MB
|
|
EXX: ACE will be initialized later
|
|
|
|
Initial potential from superposition of free atoms
|
|
|
|
starting charge 7.9990, renormalised to 8.0000
|
|
Starting wfcs are 8 randomized atomic wfcs
|
|
|
|
total cpu time spent up to now is 1.5 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
106 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3362 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 1.00E-02, avg # of iterations = 4.1
|
|
|
|
Threshold (ethr) on eigenvalues was too large:
|
|
Diagonalizing with lowered threshold
|
|
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
107 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3310 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 8.31E-04, avg # of iterations = 2.7
|
|
|
|
total cpu time spent up to now is 8.1 secs
|
|
|
|
total energy = -15.85342229 Ry
|
|
estimated scf accuracy < 0.07146453 Ry
|
|
|
|
iteration # 2 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
108 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3325 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 8.93E-04, avg # of iterations = 1.2
|
|
|
|
total cpu time spent up to now is 10.4 secs
|
|
|
|
total energy = -15.85690924 Ry
|
|
estimated scf accuracy < 0.00257455 Ry
|
|
|
|
iteration # 3 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
108 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3339 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 3.22E-05, avg # of iterations = 3.4
|
|
|
|
total cpu time spent up to now is 13.3 secs
|
|
|
|
total energy = -15.85703139 Ry
|
|
estimated scf accuracy < 0.00006785 Ry
|
|
|
|
iteration # 4 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
109 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3358 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 8.48E-07, avg # of iterations = 3.9
|
|
|
|
total cpu time spent up to now is 16.7 secs
|
|
|
|
total energy = -15.85703665 Ry
|
|
estimated scf accuracy < 0.00000014 Ry
|
|
|
|
iteration # 5 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
109 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
3328 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 1.78E-09, avg # of iterations = 7.4
|
|
|
|
total cpu time spent up to now is 21.7 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9380 2.3477 5.5076 5.5076 8.4185 9.8467 9.8467 13.2967
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-3.4163 -0.6796 5.0646 5.0646 7.9396 9.7017 9.7017 14.1710
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-3.5171 -0.5316 5.0784 5.0784 7.9613 9.7166 9.7166 14.1934
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-3.6676 -0.3075 5.1010 5.1010 7.9859 9.7402 9.7402 14.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-3.8431 -0.0231 5.1339 5.1339 8.0208 9.7736 9.7736 14.2677
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-4.0343 0.3054 5.1748 5.1748 8.0648 9.8070 9.8070 14.3030
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-4.2271 0.6682 5.2249 5.2249 8.1213 9.8406 9.8406 14.3072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-4.4180 1.0578 5.2837 5.2837 8.1841 9.8678 9.8678 14.2273
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-4.6021 1.4696 5.3509 5.3509 8.2552 9.8827 9.8827 14.0159
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-4.7765 1.8998 5.4262 5.4262 8.3341 9.8781 9.8781 13.6893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9380 2.3477 5.5076 5.5076 8.4185 9.8467 9.8467 13.2966
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-5.0878 2.8087 5.5971 5.5971 8.5137 9.7881 9.7881 12.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-5.2226 3.2765 5.6917 5.6917 8.6109 9.6998 9.6998 12.4369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-5.3444 3.7487 5.7897 5.7897 8.7016 9.5855 9.5855 11.9914
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-5.4498 4.2228 5.8893 5.8893 8.7891 9.4552 9.4552 11.5454
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-5.5398 4.6912 5.9870 5.9870 8.8694 9.3173 9.3173 11.1084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-5.6138 5.1444 6.0789 6.0789 8.9321 9.1833 9.1833 10.6938
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-5.6715 5.5659 6.1600 6.1600 8.9654 9.0641 9.0641 10.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-5.7117 5.9282 6.2254 6.2254 8.9570 8.9701 8.9701 10.0374
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-5.7366 6.1851 6.2671 6.2671 8.9092 8.9092 8.9144 9.8645
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7445 6.2816 6.2816 6.2816 8.8881 8.8881 8.8881 9.8098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7334 6.2100 6.2341 6.2341 8.8619 8.9492 8.9492 9.8792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.7018 6.0095 6.1028 6.1028 8.7856 9.1195 9.1195 10.0683
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.6466 5.7172 5.9160 5.9160 8.6682 9.3738 9.3738 10.3307
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.5694 5.3641 5.6972 5.6972 8.5197 9.6868 9.6868 10.6040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.4704 4.9727 5.4641 5.4641 8.3510 10.0403 10.0403 10.8002
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.3502 4.5563 5.2283 5.2283 8.1688 10.4226 10.4226 10.8167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.2079 4.1258 4.9964 4.9964 7.9867 10.6148 10.8258 10.8258
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-5.0451 3.6805 4.7729 4.7729 7.8080 10.2840 11.2379 11.2379
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.8593 3.2339 4.5621 4.5621 7.6388 9.9095 11.6705 11.6705
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6537 2.7837 4.3655 4.3655 7.4820 9.5244 12.1110 12.1110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.4276 2.3317 4.1846 4.1846 7.3411 9.1509 12.5595 12.5595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1789 1.8798 4.0211 4.0211 7.2187 8.7990 13.0151 13.0151
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.9133 1.4261 3.8744 3.8744 7.1163 8.4741 13.4717 13.4717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6262 0.9802 3.7470 3.7470 7.0371 8.1814 13.9410 13.9410
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-3.3230 0.5386 3.6390 3.6390 6.9812 7.9179 14.4140 14.4140
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.0030 0.1019 3.5494 3.5494 6.9440 7.6857 14.8862 14.8862
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-2.6647 -0.3270 3.4796 3.4796 6.9371 7.4863 15.3596 15.3596
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.3104 -0.7496 3.4290 3.4290 6.9529 7.3196 15.8202 15.8202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9405 -1.1589 3.3989 3.3989 7.0005 7.1830 16.2395 16.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5602 -1.5457 3.3239 3.3968 7.0860 7.1742 16.3532 16.3999
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5726 -1.5140 3.1494 3.4206 7.1131 7.4462 16.0849 16.2419
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5964 -1.4615 2.9096 3.4599 7.1577 7.8507 15.7218 16.0094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-1.6353 -1.3875 2.6475 3.5147 7.2205 8.3475 15.3162 15.7289
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
-1.6947 -1.2949 2.3950 3.5839 7.2988 8.9114 14.8925 15.4186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7782 -1.1767 2.1755 3.6690 7.3984 9.5275 14.4703 15.0833
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-1.8969 -1.0400 2.0020 3.7671 7.5115 10.1756 14.0442 14.6311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-2.0469 -0.8823 1.8846 3.8789 7.6400 10.8504 13.6295 14.2022
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-2.2297 -0.7043 1.8260 4.0030 7.7824 11.5337 13.2262 13.8007
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-2.4398 -0.5039 1.8258 4.1391 7.9408 12.1970 12.8383 13.4654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-2.6713 -0.2850 1.8778 4.2847 8.1069 12.4639 12.6045 13.4110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.9165 -0.0421 1.9776 4.4389 8.2837 12.1074 12.4522 13.2326
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.1689 0.2175 2.1177 4.6000 8.4647 11.7676 12.1459 12.9751
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4264 0.4967 2.2924 4.7652 8.6472 11.4434 11.8277 12.7401
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9225 1.1145 2.7291 5.1000 8.9947 10.8507 11.2258 12.3621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-4.1585 1.4514 2.9835 5.2638 9.1447 10.5829 10.9493 12.2285
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-4.3818 1.8084 3.2574 5.4215 9.2686 10.3350 10.6917 12.1360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-4.5915 2.1805 3.5466 5.5669 9.3573 10.1038 10.4458 12.0804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-4.7865 2.5689 3.8496 5.7032 9.4115 9.8933 10.2164 12.0577
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-4.9637 2.9747 4.1634 5.8268 9.4319 9.7065 10.0060 12.0436
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-5.1260 3.3926 4.4811 5.9336 9.4218 9.5352 9.8077 11.9921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.2696 3.8245 4.7993 6.0247 9.3838 9.3938 9.6270 11.8525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.3943 4.2638 5.1114 6.0994 9.2529 9.3471 9.4629 11.5855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.5008 4.7050 5.4104 6.1596 9.1416 9.2926 9.3125 11.2152
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.5885 5.1396 5.6861 6.2062 9.0504 9.1775 9.2270 10.7979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.6570 5.5526 5.9261 6.2404 8.9794 9.0614 9.1466 10.3970
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.7060 5.9158 6.1155 6.2637 8.9287 8.9693 9.0451 10.0733
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7346 6.1815 6.2388 6.2772 8.8983 8.9094 8.9385 9.8741
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7445 6.2816 6.2816 6.2816 8.8881 8.8881 8.8881 9.8098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3702 -0.7260 4.9709 5.0415 8.0163 9.6802 9.7355 14.2057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3407 -0.7100 4.7352 4.9868 8.2247 9.6390 9.8595 14.3190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.2922 -0.6847 4.4107 4.8954 8.4845 9.5802 10.0828 14.4571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-3.2251 -0.6528 4.0459 4.7687 8.7369 9.5230 10.4187 14.5359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.1353 -0.6148 3.6719 4.6097 8.9630 9.4818 10.8635 14.4681
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.0301 -0.5782 3.3067 4.4210 9.1611 9.4659 11.3878 14.2018
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.9046 -0.5464 2.9665 4.2087 9.3476 9.4811 11.9753 13.7433
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.7626 -0.5291 2.6665 3.9784 9.5303 9.5347 12.6049 13.3059
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.6039 -0.5372 2.4193 3.7363 9.6107 9.7277 12.8860 13.2576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.4285 -0.5814 2.2389 3.4892 9.7261 9.9307 12.4971 12.9055
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.2397 -0.6703 2.1335 3.2428 9.8708 10.1434 12.1260 12.5605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-2.0372 -0.8031 2.1040 3.0040 10.0445 10.3664 11.7899 12.2302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.8263 -0.9751 2.1446 2.7774 10.2409 10.5772 11.4974 11.9098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.6078 -1.1732 2.2436 2.5702 10.4519 10.7152 11.3171 11.6208
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
-1.3893 -1.3893 2.3885 2.3885 10.6436 10.6436 11.3819 11.3819
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.6078 -1.1732 2.2436 2.5702 10.4519 10.7152 11.3171 11.6208
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.8263 -0.9751 2.1446 2.7774 10.2409 10.5772 11.4974 11.9098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-2.0372 -0.8031 2.1040 3.0040 10.0445 10.3664 11.7899 12.2302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.2397 -0.6703 2.1335 3.2428 9.8708 10.1434 12.1260 12.5605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.4285 -0.5814 2.2389 3.4892 9.7261 9.9307 12.4971 12.9055
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.6039 -0.5372 2.4193 3.7363 9.6107 9.7277 12.8860 13.2576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.7626 -0.5291 2.6665 3.9784 9.5303 9.5347 12.6049 13.3059
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.9046 -0.5464 2.9665 4.2087 9.3476 9.4811 11.9753 13.7433
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.0301 -0.5782 3.3067 4.4210 9.1611 9.4659 11.3878 14.2017
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.1353 -0.6148 3.6719 4.6097 8.9630 9.4818 10.8635 14.4681
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-3.2251 -0.6528 4.0459 4.7687 8.7369 9.5230 10.4187 14.5359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.2922 -0.6847 4.4107 4.8954 8.4845 9.5802 10.0828 14.4571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3407 -0.7100 4.7352 4.9868 8.2247 9.6390 9.8595 14.3190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3702 -0.7260 4.9709 5.0415 8.0163 9.6802 9.7355 14.2057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7445 6.2816 6.2816 6.2816 8.8881 8.8881 8.8881 9.8098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-5.7366 6.1851 6.2671 6.2671 8.9092 8.9092 8.9144 9.8645
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-5.7117 5.9282 6.2254 6.2254 8.9570 8.9701 8.9701 10.0374
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-5.6715 5.5659 6.1600 6.1600 8.9654 9.0641 9.0641 10.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-5.6138 5.1444 6.0789 6.0789 8.9321 9.1833 9.1833 10.6938
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-5.5398 4.6912 5.9870 5.9870 8.8694 9.3173 9.3173 11.1084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-5.4498 4.2228 5.8893 5.8893 8.7891 9.4552 9.4552 11.5454
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-5.3444 3.7487 5.7897 5.7897 8.7016 9.5855 9.5855 11.9914
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-5.2226 3.2765 5.6917 5.6917 8.6109 9.6998 9.6998 12.4369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-5.0878 2.8087 5.5971 5.5971 8.5137 9.7881 9.7881 12.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9380 2.3477 5.5076 5.5076 8.4185 9.8467 9.8467 13.2966
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-4.7765 1.8998 5.4262 5.4262 8.3341 9.8781 9.8781 13.6893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-4.6021 1.4696 5.3509 5.3509 8.2552 9.8827 9.8827 14.0159
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-4.4180 1.0578 5.2837 5.2837 8.1841 9.8678 9.8678 14.2273
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-4.2271 0.6682 5.2249 5.2249 8.1213 9.8406 9.8406 14.3072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-4.0343 0.3054 5.1748 5.1748 8.0648 9.8070 9.8070 14.3030
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-3.8431 -0.0231 5.1339 5.1339 8.0208 9.7736 9.7736 14.2677
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-3.6676 -0.3075 5.1010 5.1010 7.9859 9.7402 9.7402 14.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-3.5171 -0.5316 5.0784 5.0784 7.9613 9.7166 9.7166 14.1934
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-3.4163 -0.6796 5.0646 5.0646 7.9396 9.7017 9.7017 14.1710
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4055 -0.6885 5.0406 5.0501 7.9666 9.6877 9.7208 14.1831
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4769 -0.5647 4.9857 5.0214 8.0646 9.6637 9.7926 14.2291
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5845 -0.3742 4.9033 4.9771 8.2014 9.6337 9.9110 14.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.7104 -0.1292 4.8041 4.9191 8.3624 9.6129 10.0661 13.9690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.8450 0.1562 4.6969 4.8522 8.5142 9.6262 10.2548 13.4202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9790 0.4720 4.5888 4.7804 8.6143 9.7118 10.4688 12.7916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1089 0.8076 4.4883 4.7074 8.6340 9.8902 10.7033 12.1657
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.2303 1.1565 4.4001 4.6362 8.5839 10.1443 10.9491 11.5777
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.3385 1.5053 4.3294 4.5701 8.4759 10.4254 11.0633 11.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-4.4326 1.8437 4.2813 4.5113 8.3229 10.4495 10.9050 11.4373
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5110 2.1545 4.2599 4.4600 8.1304 10.1198 11.1949 11.6540
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5728 2.4200 4.2703 4.4194 7.9118 9.8457 11.5206 11.8427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6179 2.6210 4.3052 4.3896 7.6991 9.6613 11.8153 11.9872
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6447 2.7431 4.3468 4.3715 7.5411 9.5576 12.0299 12.0794
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6537 2.7837 4.3655 4.3655 7.4820 9.5244 12.1110 12.1110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6447 2.7431 4.3468 4.3715 7.5411 9.5576 12.0299 12.0794
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6179 2.6210 4.3052 4.3896 7.6991 9.6613 11.8153 11.9872
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5728 2.4200 4.2703 4.4194 7.9118 9.8457 11.5206 11.8427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5110 2.1545 4.2599 4.4600 8.1304 10.1198 11.1949 11.6540
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-4.4326 1.8437 4.2813 4.5113 8.3229 10.4495 10.9050 11.4373
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.3385 1.5053 4.3294 4.5701 8.4759 10.4254 11.0633 11.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.2303 1.1565 4.4001 4.6362 8.5839 10.1443 10.9491 11.5777
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1089 0.8076 4.4883 4.7074 8.6340 9.8902 10.7033 12.1657
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9790 0.4720 4.5888 4.7804 8.6143 9.7118 10.4688 12.7916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.8450 0.1562 4.6969 4.8522 8.5142 9.6262 10.2548 13.4202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.7104 -0.1292 4.8041 4.9191 8.3624 9.6129 10.0661 13.9690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5845 -0.3742 4.9033 4.9771 8.2014 9.6337 9.9110 14.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4769 -0.5647 4.9857 5.0214 8.0646 9.6637 9.7926 14.2291
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4055 -0.6885 5.0406 5.0501 7.9666 9.6877 9.7208 14.1831
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9405 -1.1589 3.3989 3.3989 7.0005 7.1830 16.2395 16.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.3104 -0.7496 3.4290 3.4290 6.9529 7.3196 15.8202 15.8202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-2.6647 -0.3270 3.4796 3.4796 6.9371 7.4863 15.3596 15.3596
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.0030 0.1019 3.5494 3.5494 6.9440 7.6857 14.8862 14.8862
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-3.3230 0.5386 3.6390 3.6390 6.9812 7.9179 14.4140 14.4140
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6262 0.9802 3.7470 3.7470 7.0371 8.1814 13.9410 13.9410
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.9133 1.4261 3.8744 3.8744 7.1163 8.4741 13.4717 13.4717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1789 1.8798 4.0211 4.0211 7.2187 8.7990 13.0151 13.0151
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.4276 2.3317 4.1846 4.1846 7.3411 9.1509 12.5595 12.5595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6537 2.7837 4.3655 4.3655 7.4820 9.5244 12.1110 12.1110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-4.8593 3.2339 4.5621 4.5621 7.6388 9.9095 11.6705 11.6705
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-5.0451 3.6805 4.7729 4.7729 7.8080 10.2840 11.2379 11.2379
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.2079 4.1258 4.9964 4.9964 7.9867 10.6148 10.8258 10.8258
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.3502 4.5563 5.2283 5.2283 8.1688 10.4226 10.4226 10.8167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.4704 4.9727 5.4641 5.4641 8.3510 10.0403 10.0403 10.8002
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.5694 5.3641 5.6972 5.6972 8.5197 9.6868 9.6868 10.6040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.6466 5.7172 5.9160 5.9160 8.6682 9.3738 9.3738 10.3307
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.7018 6.0095 6.1028 6.1028 8.7856 9.1195 9.1195 10.0683
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7334 6.2100 6.2341 6.2341 8.8619 8.9492 8.9492 9.8792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7445 6.2816 6.2816 6.2816 8.8881 8.8881 8.8881 9.8098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.8119 -1.2915 3.3778 3.3796 7.0501 7.1707 16.2785 16.3357
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.0558 -1.0208 3.3433 3.3573 7.0914 7.3273 15.8024 16.0913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.2861 -0.7484 3.2862 3.3318 7.1985 7.5407 15.1836 15.8072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.5013 -0.4798 3.2109 3.3147 7.3653 7.8013 14.5116 15.5075
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7007 -0.2223 3.1232 3.3185 7.5838 8.1068 13.8239 15.1962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.8835 0.0139 3.0287 3.3541 7.8463 8.4495 13.1370 14.8718
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.0477 0.2241 2.9336 3.4327 8.1467 8.8263 12.4625 14.5365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.1937 0.3986 2.8415 3.5607 8.4780 9.2318 11.8082 14.1868
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3211 0.5353 2.7559 3.7393 8.8342 9.6600 11.1847 13.8201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4299 0.6357 2.6801 3.9615 9.2140 10.0994 10.6107 13.4383
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.5179 0.7062 2.6168 4.2134 9.6130 10.0206 10.6276 13.0458
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.5881 0.7508 2.5650 4.4707 9.5556 10.0228 11.1094 12.6344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6380 0.7774 2.5278 4.7042 9.1737 10.4395 11.6197 12.2171
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6679 0.7916 2.5051 4.8712 8.9174 10.8528 11.8044 12.1370
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6679 0.7916 2.5051 4.8712 8.9174 10.8528 11.8044 12.1370
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6380 0.7774 2.5278 4.7042 9.1737 10.4395 11.6197 12.2171
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.5881 0.7508 2.5650 4.4707 9.5556 10.0228 11.1094 12.6344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.5179 0.7062 2.6168 4.2134 9.6130 10.0206 10.6276 13.0458
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4299 0.6357 2.6801 3.9615 9.2140 10.0994 10.6107 13.4383
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3211 0.5353 2.7559 3.7393 8.8342 9.6600 11.1847 13.8201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.1937 0.3986 2.8415 3.5607 8.4780 9.2318 11.8082 14.1868
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.0477 0.2241 2.9336 3.4327 8.1467 8.8263 12.4625 14.5365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.8835 0.0139 3.0287 3.3541 7.8463 8.4495 13.1370 14.8718
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7007 -0.2223 3.1232 3.3185 7.5838 8.1068 13.8239 15.1962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.5013 -0.4798 3.2109 3.3147 7.3653 7.8013 14.5116 15.5075
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.2861 -0.7484 3.2862 3.3318 7.1985 7.5407 15.1836 15.8072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.0558 -1.0208 3.3433 3.3573 7.0914 7.3273 15.8024 16.0913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.8119 -1.2915 3.3778 3.3796 7.0501 7.1707 16.2785 16.3357
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4055 -0.6885 5.0406 5.0501 7.9666 9.6877 9.7208 14.1831
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4769 -0.5647 4.9857 5.0214 8.0646 9.6637 9.7926 14.2291
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5845 -0.3742 4.9033 4.9771 8.2014 9.6337 9.9110 14.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.7104 -0.1292 4.8041 4.9191 8.3624 9.6129 10.0661 13.9690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.8450 0.1562 4.6969 4.8522 8.5142 9.6262 10.2548 13.4202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9790 0.4720 4.5888 4.7804 8.6143 9.7118 10.4688 12.7916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1089 0.8076 4.4883 4.7074 8.6340 9.8902 10.7033 12.1657
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.2303 1.1565 4.4001 4.6362 8.5839 10.1443 10.9491 11.5777
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.3385 1.5053 4.3294 4.5701 8.4759 10.4254 11.0633 11.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-4.4326 1.8437 4.2813 4.5113 8.3229 10.4495 10.9050 11.4373
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5110 2.1545 4.2599 4.4600 8.1304 10.1198 11.1949 11.6540
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5728 2.4200 4.2703 4.4194 7.9118 9.8457 11.5206 11.8427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6179 2.6210 4.3052 4.3896 7.6991 9.6613 11.8153 11.9872
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6447 2.7431 4.3468 4.3715 7.5411 9.5576 12.0299 12.0794
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6537 2.7837 4.3655 4.3655 7.4820 9.5244 12.1110 12.1110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6447 2.7431 4.3468 4.3715 7.5411 9.5576 12.0299 12.0794
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-4.6179 2.6210 4.3052 4.3896 7.6991 9.6613 11.8153 11.9872
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5728 2.4200 4.2703 4.4194 7.9118 9.8457 11.5206 11.8427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-4.5110 2.1545 4.2599 4.4600 8.1304 10.1198 11.1949 11.6540
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-4.4326 1.8437 4.2813 4.5113 8.3229 10.4495 10.9050 11.4373
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.3385 1.5053 4.3294 4.5701 8.4759 10.4254 11.0633 11.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-4.2303 1.1565 4.4001 4.6362 8.5839 10.1443 10.9491 11.5777
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-4.1089 0.8076 4.4883 4.7074 8.6340 9.8902 10.7033 12.1657
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9790 0.4720 4.5888 4.7804 8.6143 9.7118 10.4688 12.7916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.8450 0.1562 4.6969 4.8522 8.5142 9.6262 10.2548 13.4202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.7104 -0.1292 4.8041 4.9191 8.3624 9.6129 10.0661 13.9690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5845 -0.3742 4.9033 4.9771 8.2014 9.6337 9.9110 14.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4769 -0.5647 4.9857 5.0214 8.0646 9.6637 9.7926 14.2291
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4055 -0.6885 5.0406 5.0501 7.9666 9.6877 9.7208 14.1831
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5525 -1.5525 3.3563 3.3563 7.1372 7.1372 16.3572 16.3572
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5414 -1.5414 3.2657 3.2657 7.3110 7.3110 16.0244 16.0244
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5241 -1.5241 3.1342 3.1342 7.5813 7.5813 15.4949 15.4949
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5014 -1.5014 2.9825 2.9825 7.9294 7.9294 14.8829 14.8829
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4751 -1.4751 2.8277 2.8277 8.3399 8.3399 14.2395 14.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4494 -1.4494 2.6833 2.6833 8.7948 8.7948 13.5859 13.5859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4248 -1.4248 2.5607 2.5607 9.2880 9.2880 12.9406 12.9406
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4046 -1.4046 2.4674 2.4674 9.8065 9.8065 12.3142 12.3142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3917 -1.3917 2.4091 2.4091 10.3227 10.3227 11.7316 11.7316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
-1.3893 -1.3893 2.3885 2.3885 10.6436 10.6436 11.3819 11.3819
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3917 -1.3917 2.4091 2.4091 10.3227 10.3227 11.7316 11.7316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4046 -1.4046 2.4674 2.4674 9.8065 9.8065 12.3142 12.3142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4248 -1.4248 2.5607 2.5607 9.2880 9.2880 12.9406 12.9406
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4494 -1.4494 2.6833 2.6833 8.7948 8.7948 13.5859 13.5859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4751 -1.4751 2.8277 2.8277 8.3399 8.3399 14.2395 14.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5014 -1.5014 2.9825 2.9825 7.9294 7.9294 14.8829 14.8829
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5241 -1.5241 3.1342 3.1342 7.5813 7.5813 15.4949 15.4949
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5414 -1.5414 3.2657 3.2657 7.3110 7.3110 16.0244 16.0244
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5525 -1.5525 3.3563 3.3563 7.1372 7.1372 16.3572 16.3572
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.8119 -1.2915 3.3778 3.3796 7.0501 7.1707 16.2785 16.3357
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.0558 -1.0208 3.3433 3.3573 7.0914 7.3273 15.8024 16.0913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.2861 -0.7484 3.2862 3.3318 7.1985 7.5407 15.1836 15.8072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.5013 -0.4798 3.2109 3.3147 7.3653 7.8013 14.5116 15.5075
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7007 -0.2223 3.1232 3.3185 7.5838 8.1068 13.8239 15.1962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.8835 0.0139 3.0287 3.3541 7.8463 8.4495 13.1370 14.8718
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.0477 0.2241 2.9336 3.4327 8.1467 8.8263 12.4625 14.5365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.1937 0.3986 2.8415 3.5607 8.4780 9.2318 11.8082 14.1868
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3211 0.5353 2.7559 3.7393 8.8342 9.6600 11.1847 13.8201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4299 0.6357 2.6801 3.9615 9.2140 10.0994 10.6107 13.4383
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.5179 0.7062 2.6168 4.2134 9.6130 10.0206 10.6276 13.0458
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.5881 0.7508 2.5650 4.4707 9.5556 10.0228 11.1094 12.6344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6380 0.7774 2.5278 4.7042 9.1737 10.4395 11.6197 12.2171
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6679 0.7916 2.5051 4.8712 8.9174 10.8528 11.8044 12.1370
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6679 0.7916 2.5051 4.8712 8.9174 10.8528 11.8044 12.1370
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6380 0.7774 2.5278 4.7042 9.1737 10.4395 11.6197 12.2171
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-3.5881 0.7508 2.5650 4.4707 9.5556 10.0228 11.1094 12.6344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.5179 0.7062 2.6168 4.2134 9.6130 10.0206 10.6276 13.0458
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4299 0.6357 2.6801 3.9615 9.2140 10.0994 10.6107 13.4383
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3211 0.5353 2.7559 3.7393 8.8342 9.6600 11.1847 13.8201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.1937 0.3986 2.8415 3.5607 8.4780 9.2318 11.8082 14.1868
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-3.0477 0.2241 2.9336 3.4327 8.1467 8.8263 12.4625 14.5365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.8835 0.0139 3.0287 3.3541 7.8463 8.4495 13.1370 14.8718
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7007 -0.2223 3.1232 3.3185 7.5838 8.1068 13.8239 15.1962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.5013 -0.4798 3.2109 3.3147 7.3653 7.8013 14.5116 15.5075
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.2861 -0.7484 3.2862 3.3318 7.1985 7.5407 15.1836 15.8072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-2.0558 -1.0208 3.3433 3.3573 7.0914 7.3273 15.8024 16.0913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.8119 -1.2915 3.3778 3.3796 7.0501 7.1707 16.2785 16.3357
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5525 -1.5525 3.3563 3.3563 7.1372 7.1372 16.3572 16.3572
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5414 -1.5414 3.2657 3.2657 7.3110 7.3110 16.0244 16.0244
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5241 -1.5241 3.1342 3.1342 7.5813 7.5813 15.4949 15.4949
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5014 -1.5014 2.9825 2.9825 7.9294 7.9294 14.8829 14.8829
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4751 -1.4751 2.8277 2.8277 8.3399 8.3399 14.2395 14.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4494 -1.4494 2.6833 2.6833 8.7948 8.7948 13.5859 13.5859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4248 -1.4248 2.5607 2.5607 9.2880 9.2880 12.9406 12.9406
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4046 -1.4046 2.4674 2.4674 9.8065 9.8065 12.3142 12.3142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3917 -1.3917 2.4091 2.4091 10.3227 10.3227 11.7316 11.7316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
-1.3893 -1.3893 2.3885 2.3885 10.6436 10.6436 11.3819 11.3819
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3917 -1.3917 2.4091 2.4091 10.3227 10.3227 11.7316 11.7316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4046 -1.4046 2.4674 2.4674 9.8065 9.8065 12.3142 12.3142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4248 -1.4248 2.5607 2.5607 9.2880 9.2880 12.9406 12.9406
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4494 -1.4494 2.6833 2.6833 8.7948 8.7948 13.5859 13.5859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4751 -1.4751 2.8277 2.8277 8.3399 8.3399 14.2395 14.2395
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5014 -1.5014 2.9825 2.9825 7.9294 7.9294 14.8829 14.8829
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5241 -1.5241 3.1342 3.1342 7.5813 7.5813 15.4949 15.4949
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5414 -1.5414 3.2657 3.2657 7.3110 7.3110 16.0244 16.0244
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5525 -1.5525 3.3563 3.3563 7.1372 7.1372 16.3572 16.3572
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7445 6.2816 6.2816 6.2816 8.8881 8.8881 8.8881 9.8098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-5.7346 6.1815 6.2388 6.2772 8.8983 8.9094 8.9385 9.8741
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.7060 5.9158 6.1155 6.2637 8.9287 8.9693 9.0451 10.0733
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.6570 5.5526 5.9261 6.2404 8.9794 9.0614 9.1466 10.3970
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.5885 5.1396 5.6861 6.2062 9.0504 9.1775 9.2270 10.7979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-5.5008 4.7050 5.4104 6.1596 9.1416 9.2926 9.3125 11.2152
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.3943 4.2638 5.1114 6.0994 9.2529 9.3471 9.4629 11.5855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-5.2696 3.8245 4.7993 6.0247 9.3838 9.3938 9.6270 11.8525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-5.1260 3.3926 4.4811 5.9336 9.4218 9.5352 9.8077 11.9921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-4.9637 2.9747 4.1634 5.8268 9.4319 9.7065 10.0060 12.0436
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-4.7865 2.5689 3.8496 5.7032 9.4115 9.8933 10.2164 12.0577
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-4.5915 2.1805 3.5466 5.5669 9.3573 10.1038 10.4458 12.0804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-4.3818 1.8084 3.2574 5.4215 9.2686 10.3350 10.6917 12.1360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-4.1585 1.4514 2.9835 5.2638 9.1447 10.5829 10.9493 12.2285
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.9225 1.1145 2.7291 5.1000 8.9947 10.8507 11.2258 12.3621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.4264 0.4967 2.2924 4.7652 8.6472 11.4434 11.8277 12.7401
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-3.1689 0.2175 2.1177 4.6000 8.4647 11.7676 12.1459 12.9751
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.9165 -0.0421 1.9776 4.4389 8.2837 12.1074 12.4522 13.2326
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-2.6713 -0.2850 1.8778 4.2847 8.1069 12.4639 12.6045 13.4110
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-2.4398 -0.5039 1.8258 4.1391 7.9408 12.1970 12.8383 13.4654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-2.2297 -0.7043 1.8260 4.0030 7.7824 11.5337 13.2262 13.8007
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-2.0469 -0.8823 1.8846 3.8789 7.6400 10.8504 13.6295 14.2022
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-1.8969 -1.0400 2.0020 3.7671 7.5115 10.1756 14.0442 14.6312
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7782 -1.1767 2.1755 3.6690 7.3984 9.5275 14.4703 15.0809
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
-1.6947 -1.2949 2.3950 3.5839 7.2988 8.9114 14.8925 15.4186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-1.6353 -1.3875 2.6475 3.5147 7.2205 8.3475 15.3162 15.7289
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5964 -1.4615 2.9096 3.4599 7.1577 7.8507 15.7218 16.0094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5726 -1.5140 3.1494 3.4206 7.1131 7.4462 16.0849 16.2419
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5602 -1.5457 3.3239 3.3968 7.0860 7.1742 16.3532 16.3999
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.5563 -1.5563 3.3889 3.3889 7.0769 7.0769 16.4566 16.4566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
-1.7480 -1.3576 3.3544 3.3958 7.0591 7.1624 16.3351 16.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-1.9308 -1.1543 3.2586 3.4167 7.0781 7.3394 16.0228 16.0891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-2.1037 -0.9495 3.1204 3.4514 7.1203 7.6057 15.6032 15.6982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-2.2657 -0.7481 2.9631 3.4998 7.1828 7.9434 15.1367 15.2369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-2.4168 -0.5587 2.8084 3.5608 7.2613 8.3364 14.6455 14.7355
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-2.5559 -0.3878 2.6778 3.6353 7.3571 8.7748 14.1595 14.2165
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-2.6833 -0.2497 2.5901 3.7211 7.4705 9.2515 13.6726 13.6871
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-2.7984 -0.1552 2.5625 3.8189 7.5975 9.7573 13.1579 13.1969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-2.9017 -0.1115 2.6059 3.9272 7.7379 10.2870 12.6339 12.7360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.9951 -0.1186 2.7212 4.0446 7.8895 10.8324 12.1231 12.2921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-3.0752 -0.1654 2.9003 4.1698 8.0486 11.3318 11.6863 11.8714
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-3.1444 -0.2375 3.1299 4.3005 8.2102 11.0832 11.4736 12.0344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-3.2034 -0.3248 3.3970 4.4339 8.3658 10.6365 11.1049 12.6164
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-3.2541 -0.4155 3.6893 4.5670 8.4981 10.2246 10.7692 13.2052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-3.2946 -0.5032 3.9919 4.6948 8.5693 9.8860 10.4658 13.7669
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3271 -0.5809 4.2945 4.8127 8.5312 9.6813 10.2042 14.2054
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-3.3503 -0.6443 4.5806 4.9143 8.3706 9.6239 9.9905 14.3452
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-3.3668 -0.6922 4.8258 4.9922 8.1620 9.6463 9.8286 14.2785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-3.3768 -0.7215 4.9971 5.0426 7.9971 9.6811 9.7300 14.1958
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-3.6775 0.7963 2.4975 4.9329 8.8265 11.1379 11.5203 12.5344
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.6718 0.7272 2.5824 4.9358 8.8287 11.0648 11.3436 12.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.6539 0.5531 2.8034 4.9441 8.8319 10.8850 10.9934 13.1058
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-3.6268 0.3313 3.1047 4.9573 8.8306 10.6202 10.6638 13.5402
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-3.5890 0.0979 3.4474 4.9749 8.8101 10.2753 10.4391 13.9651
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-3.5441 -0.1257 3.8071 4.9948 8.7426 9.9953 10.2296 14.3127
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.4986 -0.3278 4.1642 5.0133 8.5991 9.8117 10.0438 14.4646
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.4533 -0.4965 4.4996 5.0317 8.3927 9.7256 9.8953 14.4135
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-3.4142 -0.6238 4.7862 5.0469 8.1721 9.6993 9.7860 14.2946
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3890 -0.7041 4.9864 5.0566 7.9987 9.6952 9.7191 14.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3702 -0.7260 4.9709 5.0415 8.0163 9.6802 9.7355 14.2057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3407 -0.7100 4.7352 4.9868 8.2247 9.6390 9.8595 14.3190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.2922 -0.6847 4.4107 4.8954 8.4845 9.5802 10.0828 14.4571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-3.2251 -0.6528 4.0459 4.7687 8.7369 9.5230 10.4187 14.5359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.1353 -0.6148 3.6719 4.6097 8.9630 9.4818 10.8635 14.4681
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.0301 -0.5782 3.3067 4.4210 9.1611 9.4659 11.3878 14.2017
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.9046 -0.5464 2.9665 4.2087 9.3476 9.4811 11.9753 13.7433
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.7626 -0.5291 2.6665 3.9784 9.5303 9.5347 12.6049 13.3059
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.6039 -0.5372 2.4193 3.7363 9.6107 9.7277 12.8860 13.2576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.4285 -0.5814 2.2389 3.4892 9.7261 9.9307 12.4971 12.9055
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.2397 -0.6703 2.1335 3.2428 9.8708 10.1434 12.1260 12.5605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-2.0372 -0.8031 2.1040 3.0040 10.0445 10.3664 11.7899 12.2302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.8263 -0.9751 2.1446 2.7774 10.2409 10.5772 11.4974 11.9098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.6078 -1.1732 2.2436 2.5702 10.4519 10.7152 11.3171 11.6208
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
-1.3893 -1.3893 2.3885 2.3885 10.6436 10.6436 11.3819 11.3819
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.6078 -1.1732 2.2436 2.5702 10.4519 10.7152 11.3171 11.6208
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.8263 -0.9751 2.1446 2.7774 10.2409 10.5772 11.4974 11.9098
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-2.0372 -0.8031 2.1040 3.0040 10.0445 10.3664 11.7899 12.2302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.2397 -0.6703 2.1335 3.2428 9.8708 10.1434 12.1260 12.5605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.4285 -0.5814 2.2389 3.4892 9.7261 9.9307 12.4971 12.9055
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-2.6039 -0.5372 2.4193 3.7363 9.6107 9.7277 12.8860 13.2576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.7626 -0.5291 2.6665 3.9784 9.5303 9.5347 12.6049 13.3059
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-2.9046 -0.5464 2.9665 4.2087 9.3476 9.4811 11.9753 13.7433
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-3.0301 -0.5782 3.3067 4.4210 9.1611 9.4659 11.3878 14.2017
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.1353 -0.6148 3.6719 4.6097 8.9630 9.4818 10.8635 14.4681
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-3.2251 -0.6528 4.0459 4.7687 8.7369 9.5230 10.4187 14.5359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.2922 -0.6847 4.4107 4.8954 8.4845 9.5802 10.0828 14.4571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-3.3407 -0.7100 4.7352 4.9868 8.2247 9.6390 9.8595 14.3190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3702 -0.7260 4.9709 5.0415 8.0163 9.6802 9.7355 14.2057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-3.3801 -0.7314 5.0600 5.0600 7.9346 9.6966 9.6966 14.1633
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 5.5076 7.8895
|
|
|
|
! total energy = -15.85703690 Ry
|
|
estimated scf accuracy < 7.1E-09 Ry
|
|
|
|
convergence has been achieved in 5 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
|
|
EXX grid: 2733 G-vectors FFT dimensions: ( 20, 20, 20)
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 85.5 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2707 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 1.78E-09, avg # of iterations = 13.2
|
|
|
|
total cpu time spent up to now is 95.7 secs
|
|
|
|
total energy = -15.47338768 Ry
|
|
estimated scf accuracy < 0.00146071 Ry
|
|
|
|
iteration # 2 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2727 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 1.83E-05, avg # of iterations = 1.5
|
|
|
|
total cpu time spent up to now is 98.0 secs
|
|
|
|
total energy = -15.47353899 Ry
|
|
estimated scf accuracy < 0.00000814 Ry
|
|
|
|
iteration # 3 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2721 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 1.02E-07, avg # of iterations = 4.6
|
|
|
|
total cpu time spent up to now is 101.9 secs
|
|
|
|
total energy = -15.47354296 Ry
|
|
estimated scf accuracy < 0.00000054 Ry
|
|
|
|
iteration # 4 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2727 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 6.70E-09, avg # of iterations = 2.6
|
|
|
|
total cpu time spent up to now is 105.0 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9205 2.8169 5.9721 6.0788 9.6344 10.9888 11.0869 14.5558
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8373 0.2243 3.1464 4.4294 9.0388 11.8685 13.3562 13.4697
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4961 1.0687 7.0430 7.0430 9.6535 11.3267 11.3267 15.2713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6071 1.2279 7.0567 7.0567 9.6748 11.3451 11.3451 15.2998
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7698 1.4667 7.0792 7.0792 9.6991 11.3744 11.3744 15.3449
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9574 1.7658 7.1120 7.1120 9.7337 11.4157 11.4157 15.4061
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1593 2.1083 7.1529 7.1529 9.7777 11.4597 11.4597 15.4771
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3614 2.4844 7.2032 7.2032 9.8339 11.5063 11.5063 15.5484
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5601 2.8868 7.2624 7.2624 9.8969 11.5489 11.5489 15.5916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7508 3.3111 7.3305 7.3305 9.9688 11.5809 11.5809 15.5534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9308 3.7537 7.4071 7.4071 10.0488 11.5944 11.5944 15.3696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.0972 4.2139 7.4906 7.4906 10.1353 11.5799 11.5799 15.0558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2511 4.6871 7.5828 7.5828 10.2328 11.5357 11.5357 14.6772
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3894 5.1684 7.6813 7.6813 10.3332 11.4573 11.4573 14.2679
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5140 5.6555 7.7842 7.7842 10.4281 11.3477 11.3477 13.8441
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6218 6.1454 7.8899 7.8899 10.5207 11.2171 11.2171 13.4150
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7138 6.6315 7.9952 7.9952 10.6059 11.0747 11.0747 12.9899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7894 7.1047 8.0957 8.0957 10.6723 10.9334 10.9334 12.5823
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8483 7.5489 8.1857 8.1857 10.7063 10.8053 10.8053 12.2159
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8894 7.9365 8.2595 8.2595 10.6935 10.7027 10.7027 11.9271
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9148 8.2170 8.3073 8.3073 10.6354 10.6354 10.6429 11.7511
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9229 8.3241 8.3241 8.3241 10.6119 10.6119 10.6119 11.6947
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9116 8.2501 8.2676 8.2676 10.5803 10.6820 10.6820 11.7665
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8793 8.0442 8.1151 8.1151 10.4895 10.8735 10.8735 11.9601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8229 7.7462 7.9042 7.9042 10.3512 11.1518 11.1518 12.2231
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7442 7.3884 7.6633 7.6633 10.1790 11.4866 11.4866 12.4810
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6431 6.9935 7.4113 7.4113 9.9862 11.8583 11.8583 12.6198
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5204 6.5746 7.1598 7.1598 9.7815 12.2554 12.2554 12.5268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3750 6.1417 6.9148 6.9148 9.5781 12.2224 12.6701 12.6701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2088 5.6948 6.6804 6.6804 9.3801 11.8233 13.0910 13.0910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0191 5.2449 6.4602 6.4602 9.1934 11.4045 13.5302 13.5302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8090 4.7903 6.2556 6.2556 9.0207 10.9898 13.9748 13.9748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5779 4.3330 6.0679 6.0679 8.8652 10.5960 14.4255 14.4255
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3239 3.8745 5.8986 5.8986 8.7297 10.2303 14.8816 14.8816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0522 3.4137 5.7471 5.7471 8.6150 9.8965 15.3374 15.3374
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7586 2.9590 5.6156 5.6156 8.5244 9.5986 15.8050 15.8050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4481 2.5080 5.5041 5.5041 8.4579 9.3332 16.2754 16.2754
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1202 2.0614 5.4119 5.4119 8.4113 9.1016 16.7443 16.7443
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7736 1.6223 5.3400 5.3400 8.3950 8.9048 17.2138 17.2138
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4104 1.1899 5.2881 5.2881 8.4026 8.7420 17.6699 17.6699
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0312 0.7703 5.2571 5.2571 8.4422 8.6108 18.0841 18.0841
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3601 0.3734 5.1677 5.2551 8.5207 8.6217 18.1879 18.2360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3512 0.4052 4.9600 5.2800 8.5492 8.9244 17.9078 18.0673
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3328 0.4580 4.6820 5.3212 8.5961 9.3630 17.5322 17.8211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.3007 0.5322 4.3845 5.3787 8.6622 9.8905 17.1160 17.5266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2482 0.6253 4.1017 5.4514 8.7447 10.4803 16.6831 17.2032
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1702 0.7437 3.8579 5.5406 8.8495 11.1170 16.2532 16.8725
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0543 0.8809 3.6675 5.6438 8.9692 11.7822 15.8197 16.4212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.0971 1.0392 3.5408 5.7617 9.1058 12.4701 15.3991 15.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2855 1.2179 3.4800 5.8929 9.2577 13.1618 14.9905 15.5944
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5047 1.4188 3.4832 6.0368 9.4274 13.8268 14.5980 15.2671
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7474 1.6387 3.5428 6.1914 9.6071 14.2194 14.2609 15.1951
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0046 1.8822 3.6528 6.3555 9.7999 13.8590 14.1703 14.9325
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2688 2.1431 3.8048 6.5274 9.9999 13.5157 13.8840 14.6617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5370 2.4236 3.9924 6.7045 10.2046 13.1882 13.5733 14.4124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0522 3.0446 4.4572 7.0649 10.6077 12.5902 12.9771 14.0031
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.2961 3.3836 4.7268 7.2420 10.7907 12.3200 12.7019 13.8543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5264 3.7427 5.0167 7.4126 10.9489 12.0702 12.4453 13.7498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7422 4.1174 5.3231 7.5707 11.0706 11.8371 12.2007 13.6910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9426 4.5091 5.6448 7.7182 11.1528 11.6249 11.9724 13.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1244 4.9183 5.9787 7.8510 11.1938 11.4364 11.7632 13.6930
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2907 5.3408 6.3189 7.9654 11.1963 11.2638 11.5656 13.6935
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4377 5.7776 6.6617 8.0619 11.1113 11.1742 11.3853 13.6231
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5653 6.2234 7.0010 8.1401 10.9793 11.1287 11.2204 13.4205
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6741 6.6731 7.3296 8.2023 10.8671 11.0678 11.0713 13.0883
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7637 7.1189 7.6368 8.2495 10.7753 10.9286 10.9993 12.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8335 7.5467 7.9089 8.2837 10.7039 10.8056 10.9083 12.2890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8835 7.9287 8.1279 8.3067 10.6528 10.7047 10.7920 11.9638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9129 8.2143 8.2731 8.3198 10.6221 10.6366 10.6699 11.7610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9229 8.3241 8.3241 8.3241 10.6119 10.6119 10.6119 11.6947
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4458 1.0189 6.9375 7.0175 9.7386 11.2980 11.3622 15.3195
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4158 1.0383 6.6755 6.9554 9.9611 11.2411 11.4961 15.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3667 1.0694 6.3227 6.8514 10.2254 11.1635 11.7397 15.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.2985 1.1101 5.9313 6.7074 10.4696 11.0898 12.1051 15.9040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2077 1.1598 5.5322 6.5265 10.6818 11.0373 12.5812 15.9842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1008 1.2122 5.1421 6.3129 10.8675 11.0161 13.1325 15.8739
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9736 1.2639 4.7758 6.0738 11.0310 11.0445 13.7419 15.4094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8293 1.3057 4.4475 5.8161 11.0833 11.2248 14.3894 14.9664
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6680 1.3261 4.1705 5.5475 11.1691 11.4126 14.5443 14.9588
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4898 1.3115 3.9607 5.2748 11.2908 11.6111 14.1500 14.6103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.2976 1.2493 3.8310 5.0048 11.4422 11.8191 13.7764 14.2668
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0917 1.1361 3.7861 4.7442 11.6222 12.0345 13.4410 13.9369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1229 0.9753 3.8215 4.4981 11.8238 12.2298 13.1583 13.6174
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3447 0.7815 3.9240 4.2738 12.0389 12.3325 13.0078 13.3300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5655 0.5655 4.0785 4.0785 12.2360 12.2360 13.0920 13.0920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3447 0.7815 3.9240 4.2738 12.0389 12.3325 13.0078 13.3300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1229 0.9753 3.8215 4.4981 11.8238 12.2298 13.1583 13.6174
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0917 1.1361 3.7861 4.7442 11.6222 12.0345 13.4410 13.9369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.2976 1.2493 3.8310 5.0048 11.4422 11.8191 13.7764 14.2668
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4898 1.3115 3.9607 5.2748 11.2908 11.6111 14.1500 14.6103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6680 1.3261 4.1705 5.5475 11.1691 11.4126 14.5443 14.9588
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8293 1.3057 4.4475 5.8161 11.0833 11.2248 14.3894 14.9664
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9736 1.2639 4.7758 6.0738 11.0310 11.0445 13.7419 15.4094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1008 1.2122 5.1421 6.3129 10.8675 11.0161 13.1325 15.8739
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2077 1.1598 5.5322 6.5265 10.6818 11.0373 12.5812 15.9842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.2985 1.1101 5.9313 6.7074 10.4696 11.0898 12.1051 15.9040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3667 1.0694 6.3227 6.8514 10.2254 11.1635 11.7397 15.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4158 1.0383 6.6755 6.9554 9.9611 11.2411 11.4961 15.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4458 1.0189 6.9375 7.0175 9.7386 11.2980 11.3622 15.3195
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9229 8.3241 8.3241 8.3241 10.6119 10.6119 10.6119 11.6947
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9148 8.2170 8.3073 8.3073 10.6354 10.6354 10.6429 11.7511
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8894 7.9365 8.2595 8.2595 10.6935 10.7027 10.7027 11.9271
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8483 7.5489 8.1857 8.1857 10.7063 10.8053 10.8053 12.2159
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7894 7.1047 8.0957 8.0957 10.6723 10.9334 10.9334 12.5823
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7138 6.6315 7.9952 7.9952 10.6059 11.0747 11.0747 12.9899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6218 6.1454 7.8899 7.8899 10.5207 11.2171 11.2171 13.4150
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5140 5.6555 7.7842 7.7842 10.4281 11.3477 11.3477 13.8441
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3894 5.1684 7.6813 7.6813 10.3332 11.4573 11.4573 14.2679
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2511 4.6871 7.5828 7.5828 10.2328 11.5357 11.5357 14.6772
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.0972 4.2139 7.4906 7.4906 10.1353 11.5799 11.5799 15.0558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9308 3.7537 7.4071 7.4071 10.0488 11.5944 11.5944 15.3696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7508 3.3111 7.3305 7.3305 9.9688 11.5809 11.5809 15.5534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5601 2.8868 7.2624 7.2624 9.8969 11.5489 11.5489 15.5916
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3614 2.4844 7.2032 7.2032 9.8339 11.5063 11.5063 15.5484
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1593 2.1083 7.1529 7.1529 9.7777 11.4597 11.4597 15.4771
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9574 1.7658 7.1120 7.1120 9.7337 11.4157 11.4157 15.4061
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7698 1.4667 7.0792 7.0792 9.6991 11.3744 11.3744 15.3449
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6071 1.2279 7.0567 7.0567 9.6748 11.3451 11.3451 15.2998
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4961 1.0687 7.0430 7.0430 9.6535 11.3267 11.3267 15.2713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4844 1.0592 7.0157 7.0268 9.6836 11.3096 11.3474 15.2884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5642 1.1934 6.9521 6.9931 9.7890 11.2805 11.4267 15.3602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6822 1.3984 6.8578 6.9412 9.9337 11.2455 11.5569 15.4390
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8188 1.6594 6.7457 6.8740 10.0964 11.2264 11.7273 15.3877
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9631 1.9615 6.6260 6.7973 10.2338 11.2584 11.9338 14.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1055 2.2948 6.5063 6.7157 10.2992 11.3848 12.1677 14.3961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2424 2.6490 6.3951 6.6335 10.2804 11.6114 12.4235 13.7647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3694 3.0180 6.2972 6.5540 10.2028 11.9083 12.6918 13.1546
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4823 3.3895 6.2175 6.4804 10.0801 12.2322 12.6016 12.9626
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5800 3.7533 6.1612 6.4153 9.9203 12.0598 12.6335 13.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6614 4.0919 6.1337 6.3591 9.7224 11.6538 12.9900 13.4658
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7253 4.3851 6.1418 6.3146 9.4940 11.3453 13.3433 13.6752
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7719 4.6089 6.1811 6.2820 9.2643 11.1404 13.6582 13.8363
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7997 4.7452 6.2318 6.2622 9.0880 11.0261 13.8878 13.9394
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8090 4.7903 6.2556 6.2556 9.0207 10.9898 13.9748 13.9748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7997 4.7452 6.2318 6.2622 9.0880 11.0261 13.8878 13.9394
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7719 4.6089 6.1811 6.2820 9.2643 11.1404 13.6582 13.8363
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7253 4.3851 6.1418 6.3146 9.4940 11.3453 13.3433 13.6752
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6614 4.0919 6.1337 6.3591 9.7224 11.6538 12.9900 13.4658
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5800 3.7533 6.1612 6.4153 9.9203 12.0598 12.6335 13.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4823 3.3895 6.2175 6.4804 10.0801 12.2322 12.6016 12.9626
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3694 3.0180 6.2972 6.5540 10.2028 11.9083 12.6918 13.1546
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2424 2.6490 6.3951 6.6335 10.2804 11.6114 12.4235 13.7647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1055 2.2948 6.5063 6.7157 10.2992 11.3848 12.1677 14.3961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9631 1.9615 6.6260 6.7973 10.2338 11.2584 11.9338 14.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8188 1.6594 6.7457 6.8740 10.0964 11.2264 11.7273 15.3877
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6822 1.3984 6.8578 6.9412 9.9337 11.2455 11.5569 15.4390
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5642 1.1934 6.9521 6.9931 9.7890 11.2805 11.4267 15.3602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4844 1.0592 7.0157 7.0268 9.6836 11.3096 11.3474 15.2884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0312 0.7703 5.2571 5.2571 8.4422 8.6108 18.0841 18.0841
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4104 1.1899 5.2881 5.2881 8.4026 8.7420 17.6699 17.6699
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7736 1.6223 5.3400 5.3400 8.3950 8.9048 17.2138 17.2138
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1202 2.0614 5.4119 5.4119 8.4113 9.1016 16.7443 16.7443
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4481 2.5080 5.5041 5.5041 8.4579 9.3332 16.2754 16.2754
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7586 2.9590 5.6156 5.6156 8.5244 9.5986 15.8050 15.8050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0522 3.4137 5.7471 5.7471 8.6150 9.8965 15.3374 15.3374
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3239 3.8745 5.8986 5.8986 8.7297 10.2303 14.8816 14.8816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5779 4.3330 6.0679 6.0679 8.8652 10.5960 14.4255 14.4255
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8090 4.7903 6.2556 6.2556 9.0207 10.9898 13.9748 13.9748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0191 5.2449 6.4602 6.4602 9.1934 11.4045 13.5302 13.5302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2088 5.6948 6.6804 6.6804 9.3801 11.8233 13.0910 13.0910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3750 6.1417 6.9148 6.9148 9.5781 12.2224 12.6701 12.6701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5204 6.5746 7.1598 7.1598 9.7815 12.2554 12.2554 12.5268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6431 6.9935 7.4113 7.4113 9.9862 11.8583 11.8583 12.6198
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7442 7.3884 7.6633 7.6633 10.1790 11.4866 11.4866 12.4810
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8229 7.7462 7.9042 7.9042 10.3512 11.1518 11.1518 12.2231
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8793 8.0442 8.1151 8.1151 10.4895 10.8735 10.8735 11.9601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9116 8.2501 8.2676 8.2676 10.5803 10.6820 10.6820 11.7665
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9229 8.3241 8.3241 8.3241 10.6119 10.6119 10.6119 11.6947
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.1009 0.6346 5.2322 5.2342 8.4930 8.6040 18.1164 18.1773
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1485 0.9130 5.1874 5.2030 8.5500 8.7659 17.6293 17.9364
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3836 1.1937 5.1152 5.1652 8.6782 8.9887 16.9959 17.6563
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6030 1.4707 5.0224 5.1349 8.8690 9.2615 16.3105 17.3605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8061 1.7361 4.9171 5.1268 9.1124 9.5798 15.6098 17.0518
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9921 1.9789 4.8063 5.1541 9.3997 9.9353 14.9102 16.7287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1591 2.1924 4.6965 5.2299 9.7238 10.3242 14.2230 16.3924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3074 2.3664 4.5920 5.3621 10.0781 10.7409 13.5559 16.0387
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4367 2.4986 4.4961 5.5526 10.4563 11.1771 12.9208 15.6647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5471 2.5916 4.4118 5.7936 10.8574 11.6125 12.3448 15.2720
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6365 2.6535 4.3416 6.0700 11.2770 11.6457 12.2411 14.8655
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7076 2.6904 4.2849 6.3562 11.1902 11.7074 12.7024 14.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7581 2.7110 4.2442 6.6200 10.7876 12.1446 13.2223 14.0020
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7884 2.7213 4.2195 6.8125 10.5099 12.5783 13.5698 13.7571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7884 2.7213 4.2195 6.8125 10.5099 12.5783 13.5698 13.7571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7581 2.7110 4.2442 6.6200 10.7876 12.1446 13.2223 14.0020
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7076 2.6904 4.2849 6.3562 11.1902 11.7074 12.7024 14.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6365 2.6535 4.3416 6.0700 11.2770 11.6457 12.2411 14.8655
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5471 2.5916 4.4118 5.7936 10.8574 11.6125 12.3448 15.2720
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4367 2.4986 4.4961 5.5526 10.4563 11.1771 12.9208 15.6647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3074 2.3664 4.5920 5.3621 10.0781 10.7409 13.5559 16.0387
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1591 2.1924 4.6965 5.2299 9.7238 10.3242 14.2230 16.3924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9921 1.9789 4.8063 5.1541 9.3997 9.9353 14.9102 16.7287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8061 1.7361 4.9171 5.1268 9.1124 9.5798 15.6098 17.0518
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6030 1.4707 5.0224 5.1349 8.8690 9.2615 16.3105 17.3605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3836 1.1937 5.1152 5.1652 8.6782 8.9887 16.9959 17.6563
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1485 0.9130 5.1874 5.2030 8.5500 8.7659 17.6293 17.9364
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.1009 0.6346 5.2322 5.2342 8.4930 8.6040 18.1164 18.1773
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4844 1.0592 7.0157 7.0268 9.6836 11.3096 11.3474 15.2884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5642 1.1934 6.9521 6.9931 9.7890 11.2805 11.4267 15.3602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6822 1.3984 6.8578 6.9412 9.9337 11.2455 11.5569 15.4390
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8188 1.6594 6.7457 6.8740 10.0964 11.2264 11.7273 15.3877
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9631 1.9615 6.6260 6.7973 10.2338 11.2584 11.9338 14.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1055 2.2948 6.5063 6.7157 10.2992 11.3848 12.1677 14.3961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2424 2.6490 6.3951 6.6335 10.2804 11.6114 12.4235 13.7647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3694 3.0180 6.2972 6.5540 10.2028 11.9083 12.6918 13.1546
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4823 3.3895 6.2175 6.4804 10.0801 12.2322 12.6016 12.9626
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5800 3.7533 6.1612 6.4153 9.9203 12.0598 12.6335 13.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6614 4.0919 6.1337 6.3591 9.7224 11.6538 12.9900 13.4658
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7253 4.3851 6.1418 6.3146 9.4940 11.3453 13.3433 13.6752
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7719 4.6089 6.1811 6.2820 9.2643 11.1404 13.6582 13.8363
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7997 4.7452 6.2318 6.2622 9.0880 11.0261 13.8878 13.9394
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8090 4.7903 6.2556 6.2556 9.0207 10.9898 13.9748 13.9748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7997 4.7452 6.2318 6.2622 9.0880 11.0261 13.8878 13.9394
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7719 4.6089 6.1811 6.2820 9.2643 11.1404 13.6582 13.8363
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7253 4.3851 6.1418 6.3146 9.4940 11.3453 13.3433 13.6752
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6614 4.0919 6.1337 6.3591 9.7224 11.6538 12.9900 13.4658
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5800 3.7533 6.1612 6.4153 9.9203 12.0598 12.6335 13.2266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4823 3.3895 6.2175 6.4804 10.0801 12.2322 12.6016 12.9626
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3694 3.0180 6.2972 6.5540 10.2028 11.9083 12.6918 13.1546
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2424 2.6490 6.3951 6.6335 10.2804 11.6114 12.4235 13.7647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1055 2.2948 6.5063 6.7157 10.2992 11.3848 12.1677 14.3961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9631 1.9615 6.6260 6.7973 10.2338 11.2584 11.9338 14.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8188 1.6594 6.7457 6.8740 10.0964 11.2264 11.7273 15.3877
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6822 1.3984 6.8578 6.9412 9.9337 11.2455 11.5569 15.4390
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5642 1.1934 6.9521 6.9931 9.7890 11.2805 11.4267 15.3602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4844 1.0592 7.0157 7.0268 9.6836 11.3096 11.3474 15.2884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3673 0.3673 5.2063 5.2063 8.5794 8.5794 18.1909 18.1909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3804 0.3804 5.0952 5.0952 8.7736 8.7736 17.8366 17.8366
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4010 0.4010 4.9374 4.9374 9.0700 9.0700 17.2816 17.2816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4281 0.4281 4.7588 4.7588 9.4451 9.4451 16.6481 16.6481
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4596 0.4596 4.5792 4.5792 9.8806 9.8806 15.9859 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4909 0.4909 4.4137 4.4137 10.3578 10.3578 15.3155 15.3155
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5211 0.5211 4.2739 4.2739 10.8703 10.8703 14.6552 14.6552
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5459 0.5459 4.1678 4.1678 11.4039 11.4039 14.0166 14.0166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5619 0.5619 4.1016 4.1016 11.9263 11.9263 13.4298 13.4298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5655 0.5655 4.0785 4.0785 12.2360 12.2360 13.0920 13.0920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5619 0.5619 4.1016 4.1016 11.9263 11.9263 13.4298 13.4298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5459 0.5459 4.1678 4.1678 11.4039 11.4039 14.0166 14.0166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5211 0.5211 4.2739 4.2739 10.8703 10.8703 14.6552 14.6552
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4909 0.4909 4.4137 4.4137 10.3578 10.3578 15.3155 15.3155
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4596 0.4596 4.5792 4.5792 9.8806 9.8806 15.9859 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4281 0.4281 4.7588 4.7588 9.4451 9.4451 16.6481 16.6481
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4010 0.4010 4.9374 4.9374 9.0700 9.0700 17.2816 17.2816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3804 0.3804 5.0952 5.0952 8.7736 8.7736 17.8366 17.8366
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3673 0.3673 5.2063 5.2063 8.5794 8.5794 18.1909 18.1909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.1009 0.6346 5.2322 5.2342 8.4930 8.6040 18.1164 18.1773
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1485 0.9130 5.1874 5.2030 8.5500 8.7659 17.6293 17.9364
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3836 1.1937 5.1152 5.1652 8.6782 8.9887 16.9959 17.6563
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6030 1.4707 5.0224 5.1349 8.8690 9.2615 16.3105 17.3605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8061 1.7361 4.9171 5.1268 9.1124 9.5798 15.6098 17.0518
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9921 1.9789 4.8063 5.1541 9.3997 9.9353 14.9102 16.7287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1591 2.1924 4.6965 5.2299 9.7238 10.3242 14.2230 16.3924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3074 2.3664 4.5920 5.3621 10.0781 10.7409 13.5559 16.0387
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4367 2.4986 4.4961 5.5526 10.4563 11.1771 12.9208 15.6647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5471 2.5916 4.4118 5.7936 10.8574 11.6125 12.3448 15.2720
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6365 2.6535 4.3416 6.0700 11.2770 11.6457 12.2411 14.8655
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7076 2.6904 4.2849 6.3562 11.1902 11.7074 12.7024 14.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7581 2.7110 4.2442 6.6200 10.7876 12.1446 13.2223 14.0020
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7884 2.7213 4.2195 6.8125 10.5099 12.5783 13.5698 13.7571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7884 2.7213 4.2195 6.8125 10.5099 12.5783 13.5698 13.7571
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7581 2.7110 4.2442 6.6200 10.7876 12.1446 13.2223 14.0020
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7076 2.6904 4.2849 6.3562 11.1902 11.7074 12.7024 14.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6365 2.6535 4.3416 6.0700 11.2770 11.6457 12.2411 14.8655
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5471 2.5916 4.4118 5.7936 10.8574 11.6125 12.3448 15.2720
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4367 2.4986 4.4961 5.5526 10.4563 11.1771 12.9208 15.6647
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3074 2.3664 4.5920 5.3621 10.0781 10.7409 13.5559 16.0387
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1591 2.1924 4.6965 5.2299 9.7238 10.3242 14.2230 16.3924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9921 1.9789 4.8063 5.1541 9.3997 9.9353 14.9102 16.7287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8061 1.7361 4.9171 5.1268 9.1124 9.5798 15.6098 17.0518
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6030 1.4707 5.0224 5.1349 8.8690 9.2615 16.3105 17.3605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3836 1.1937 5.1152 5.1652 8.6782 8.9887 16.9959 17.6563
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1485 0.9130 5.1874 5.2030 8.5500 8.7659 17.6293 17.9364
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.1009 0.6346 5.2322 5.2342 8.4930 8.6040 18.1164 18.1773
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3673 0.3673 5.2063 5.2063 8.5794 8.5794 18.1909 18.1909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3804 0.3804 5.0952 5.0952 8.7736 8.7736 17.8366 17.8366
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4010 0.4010 4.9374 4.9374 9.0700 9.0700 17.2816 17.2816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4281 0.4281 4.7588 4.7588 9.4451 9.4451 16.6481 16.6481
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4596 0.4596 4.5792 4.5792 9.8806 9.8806 15.9859 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4909 0.4909 4.4137 4.4137 10.3578 10.3578 15.3155 15.3155
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5211 0.5211 4.2739 4.2739 10.8703 10.8703 14.6552 14.6552
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5459 0.5459 4.1678 4.1678 11.4039 11.4039 14.0166 14.0166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5619 0.5619 4.1016 4.1016 11.9263 11.9263 13.4298 13.4298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5655 0.5655 4.0785 4.0785 12.2360 12.2360 13.0920 13.0920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5619 0.5619 4.1016 4.1016 11.9263 11.9263 13.4298 13.4298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5459 0.5459 4.1678 4.1678 11.4039 11.4039 14.0166 14.0166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5211 0.5211 4.2739 4.2739 10.8703 10.8703 14.6552 14.6552
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4909 0.4909 4.4137 4.4137 10.3578 10.3578 15.3155 15.3155
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4596 0.4596 4.5792 4.5792 9.8806 9.8806 15.9859 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4281 0.4281 4.7588 4.7588 9.4451 9.4451 16.6481 16.6481
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4010 0.4010 4.9374 4.9374 9.0700 9.0700 17.2816 17.2816
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3804 0.3804 5.0952 5.0952 8.7736 8.7736 17.8366 17.8366
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3673 0.3673 5.2063 5.2063 8.5794 8.5794 18.1909 18.1909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9229 8.3241 8.3241 8.3241 10.6119 10.6119 10.6119 11.6947
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9129 8.2143 8.2731 8.3198 10.6221 10.6366 10.6699 11.7610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8835 7.9287 8.1279 8.3067 10.6528 10.7047 10.7920 11.9638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8335 7.5467 7.9089 8.2837 10.7039 10.8056 10.9083 12.2890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7637 7.1189 7.6368 8.2495 10.7753 10.9286 10.9993 12.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6741 6.6731 7.3296 8.2023 10.8671 11.0678 11.0713 13.0883
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5653 6.2234 7.0010 8.1401 10.9793 11.1287 11.2204 13.4205
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4377 5.7776 6.6617 8.0619 11.1113 11.1742 11.3853 13.6231
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2907 5.3408 6.3189 7.9654 11.1963 11.2638 11.5656 13.6935
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1244 4.9183 5.9787 7.8510 11.1938 11.4364 11.7632 13.6930
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9426 4.5091 5.6448 7.7182 11.1528 11.6249 11.9724 13.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7422 4.1174 5.3231 7.5707 11.0706 11.8371 12.2007 13.6910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5264 3.7427 5.0167 7.4126 10.9489 12.0702 12.4453 13.7498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.2961 3.3836 4.7268 7.2420 10.7907 12.3200 12.7019 13.8543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0522 3.0446 4.4572 7.0649 10.6077 12.5902 12.9771 14.0031
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5370 2.4236 3.9924 6.7045 10.2046 13.1882 13.5733 14.4124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2688 2.1431 3.8048 6.5274 9.9999 13.5157 13.8840 14.6617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0046 1.8822 3.6528 6.3555 9.7999 13.8590 14.1703 14.9325
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7474 1.6387 3.5428 6.1914 9.6071 14.2194 14.2609 15.1951
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5047 1.4188 3.4832 6.0368 9.4274 13.8268 14.5980 15.2671
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2855 1.2179 3.4800 5.8929 9.2577 13.1618 14.9905 15.5944
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.0971 1.0392 3.5408 5.7617 9.1058 12.4701 15.3991 15.9924
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0543 0.8809 3.6675 5.6438 8.9692 11.7822 15.8197 16.4212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1702 0.7437 3.8579 5.5406 8.8495 11.1170 16.2532 16.8725
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2482 0.6253 4.1017 5.4514 8.7447 10.4803 16.6831 17.2032
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.3007 0.5322 4.3845 5.3787 8.6622 9.8905 17.1160 17.5266
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3328 0.4580 4.6820 5.3212 8.5961 9.3630 17.5322 17.8211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3512 0.4052 4.9600 5.2800 8.5492 8.9244 17.9078 18.0673
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3601 0.3734 5.1677 5.2551 8.5207 8.6217 18.1879 18.2360
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3628 0.3628 5.2468 5.2468 8.5112 8.5112 18.2969 18.2969
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1666 0.5668 5.2042 5.2540 8.4986 8.5996 18.1733 18.1986
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0201 0.7762 5.0876 5.2758 8.5216 8.7936 17.8534 17.9246
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.1960 0.9875 4.9227 5.3118 8.5667 9.0840 17.4225 17.5277
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3604 1.1954 4.7383 5.3622 8.6324 9.4470 16.9440 17.0602
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5131 1.3905 4.5596 5.4259 8.7147 9.8638 16.4402 16.5530
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6532 1.5641 4.4109 5.5036 8.8154 10.3230 15.9425 16.0297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7809 1.6992 4.3137 5.5936 8.9346 10.8177 15.4441 15.4968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.8958 1.7823 4.2879 5.6962 9.0690 11.3387 14.9569 14.9643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-0.9983 1.8054 4.3445 5.8101 9.2186 11.8806 14.4378 14.4843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0903 1.7717 4.4813 5.9341 9.3818 12.4330 13.9267 14.0284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1686 1.6967 4.6854 6.0668 9.5554 12.9363 13.4895 13.5954
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2358 1.5983 4.9402 6.2061 9.7356 12.8192 13.1849 13.7039
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2924 1.4882 5.2311 6.3491 9.9159 12.3766 12.8032 14.2701
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3403 1.3782 5.5459 6.4926 10.0827 11.9456 12.4537 14.8462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3781 1.2750 5.8707 6.6319 10.2043 11.5695 12.1365 15.3601
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4081 1.1848 6.1961 6.7614 10.2272 11.3146 11.8611 15.6350
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4292 1.1117 6.5058 6.8742 10.1026 11.2293 11.6347 15.5818
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4440 1.0571 6.7751 6.9618 9.8944 11.2546 11.4622 15.4274
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4528 1.0236 6.9669 7.0187 9.7176 11.3001 11.3564 15.3060
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.7982 2.7247 4.2113 6.8847 10.4097 12.8800 13.2693 14.1913
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7917 2.6392 4.3132 6.8881 10.4150 12.7957 13.0798 14.3893
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7718 2.4331 4.5685 6.8981 10.4277 12.5943 12.7148 14.7769
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7411 2.1807 4.9038 6.9139 10.4439 12.3264 12.3529 15.2012
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6984 1.9215 5.2772 6.9348 10.4512 11.9604 12.1112 15.5896
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6475 1.6761 5.6657 6.9587 10.4220 11.6500 11.8875 15.8323
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.5948 1.4554 6.0513 6.9815 10.3164 11.4363 11.6901 15.8128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5422 1.2709 6.4154 7.0039 10.1279 11.3369 11.5321 15.6346
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.4964 1.1310 6.7305 7.0223 9.9041 11.3132 11.4158 15.4440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4664 1.0426 6.9547 7.0342 9.7190 11.3160 11.3445 15.3095
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4458 1.0189 6.9375 7.0175 9.7386 11.2980 11.3622 15.3195
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4158 1.0383 6.6755 6.9554 9.9611 11.2411 11.4961 15.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3667 1.0694 6.3227 6.8514 10.2254 11.1635 11.7397 15.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.2985 1.1101 5.9313 6.7074 10.4696 11.0898 12.1051 15.9040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2077 1.1598 5.5322 6.5265 10.6818 11.0373 12.5812 15.9842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1008 1.2122 5.1421 6.3129 10.8675 11.0161 13.1325 15.8739
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9736 1.2639 4.7758 6.0738 11.0310 11.0445 13.7419 15.4094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8293 1.3057 4.4475 5.8161 11.0833 11.2248 14.3894 14.9664
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6680 1.3261 4.1705 5.5475 11.1691 11.4126 14.5443 14.9588
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4898 1.3115 3.9607 5.2748 11.2908 11.6111 14.1500 14.6103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.2976 1.2493 3.8310 5.0048 11.4422 11.8191 13.7764 14.2668
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0917 1.1361 3.7861 4.7442 11.6222 12.0345 13.4410 13.9369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1229 0.9753 3.8215 4.4981 11.8238 12.2298 13.1583 13.6174
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3447 0.7815 3.9240 4.2738 12.0389 12.3325 13.0078 13.3300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5655 0.5655 4.0785 4.0785 12.2360 12.2360 13.0920 13.0920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3447 0.7815 3.9240 4.2738 12.0389 12.3325 13.0078 13.3300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1229 0.9753 3.8215 4.4981 11.8238 12.2298 13.1583 13.6174
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0917 1.1361 3.7861 4.7442 11.6222 12.0345 13.4410 13.9369
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.2976 1.2493 3.8310 5.0048 11.4422 11.8191 13.7764 14.2668
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4898 1.3115 3.9607 5.2748 11.2908 11.6111 14.1500 14.6103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6680 1.3261 4.1705 5.5475 11.1691 11.4126 14.5443 14.9588
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8293 1.3057 4.4475 5.8161 11.0833 11.2248 14.3894 14.9664
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9736 1.2639 4.7758 6.0738 11.0310 11.0445 13.7419 15.4094
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1008 1.2122 5.1421 6.3129 10.8675 11.0161 13.1325 15.8739
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2077 1.1598 5.5322 6.5265 10.6818 11.0373 12.5812 15.9842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.2985 1.1101 5.9313 6.7074 10.4696 11.0898 12.1051 15.9040
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3667 1.0694 6.3227 6.8514 10.2254 11.1635 11.7397 15.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4158 1.0383 6.6755 6.9554 9.9611 11.2411 11.4961 15.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4458 1.0189 6.9375 7.0175 9.7386 11.2980 11.3622 15.3195
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4557 1.0124 7.0384 7.0384 9.6485 11.3205 11.3205 15.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0788 9.0388
|
|
|
|
! total energy = -15.47354302 Ry
|
|
estimated scf accuracy < 6.7E-09 Ry
|
|
|
|
convergence has been achieved in 4 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
|
|
total energy = -15.47374403 Ry
|
|
Harris-Foulkes estimate = -15.47374403 Ry
|
|
est. exchange err (dexx) = 0.00020101 Ry
|
|
- averaged Fock potential = 0.90497268 Ry
|
|
+ Fock energy (ACE) = -0.45139929 Ry
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 168.3 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2665 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 6.70E-09, avg # of iterations = 1.0
|
|
|
|
total cpu time spent up to now is 170.6 secs
|
|
|
|
total energy = -15.47375540 Ry
|
|
estimated scf accuracy < 0.00000676 Ry
|
|
|
|
iteration # 2 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2659 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 8.45E-08, avg # of iterations = 1.7
|
|
|
|
total cpu time spent up to now is 173.0 secs
|
|
|
|
total energy = -15.47375613 Ry
|
|
estimated scf accuracy < 0.00000003 Ry
|
|
|
|
iteration # 3 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2666 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 3.38E-10, avg # of iterations = 5.0
|
|
|
|
total cpu time spent up to now is 177.4 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9242 2.8168 5.9673 6.0757 9.6335 10.9859 11.0828 14.5545
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8390 0.2230 3.1435 4.4249 9.0345 11.8628 13.3532 13.4642
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.5028 1.0637 7.0357 7.0357 9.6477 11.3235 11.3235 15.2706
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6137 1.2228 7.0495 7.0495 9.6691 11.3418 11.3418 15.2991
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7763 1.4614 7.0720 7.0720 9.6934 11.3711 11.3711 15.3440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9637 1.7603 7.1048 7.1048 9.7279 11.4123 11.4123 15.4052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1656 2.1028 7.1457 7.1457 9.7720 11.4562 11.4562 15.4760
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3675 2.4787 7.1959 7.1959 9.8282 11.5027 11.5027 15.5469
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5662 2.8810 7.2551 7.2551 9.8913 11.5451 11.5451 15.5894
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7568 3.3051 7.3232 7.3232 9.9631 11.5770 11.5770 15.5497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9367 3.7476 7.3998 7.3998 10.0432 11.5903 11.5903 15.3642
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1031 4.2077 7.4833 7.4833 10.1297 11.5756 11.5756 15.0493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2569 4.6808 7.5755 7.5755 10.2273 11.5313 11.5313 14.6702
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3952 5.1619 7.6739 7.6739 10.3277 11.4528 11.4528 14.2606
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5198 5.6488 7.7768 7.7768 10.4227 11.3431 11.3431 13.8365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6276 6.1385 7.8824 7.8824 10.5154 11.2125 11.2125 13.4073
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7195 6.6245 7.9875 7.9875 10.6007 11.0702 11.0702 12.9821
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7951 7.0974 8.0879 8.0879 10.6673 10.9290 10.9290 12.5744
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8540 7.5414 8.1778 8.1778 10.7015 10.8010 10.8010 12.2079
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8951 7.9288 8.2515 8.2515 10.6890 10.6985 10.6985 11.9190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9205 8.2089 8.2992 8.2992 10.6313 10.6313 10.6387 11.7430
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9286 8.3159 8.3159 8.3159 10.6079 10.6079 10.6079 11.6866
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9173 8.2420 8.2596 8.2596 10.5763 10.6778 10.6778 11.7583
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8849 8.0360 8.1074 8.1074 10.4856 10.8690 10.8690 11.9519
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8286 7.7381 7.8968 7.8968 10.3473 11.1470 11.1470 12.2150
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7499 7.3803 7.6562 7.6562 10.1752 11.4815 11.4815 12.4733
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6488 6.9854 7.4045 7.4045 9.9825 11.8529 11.8529 12.6131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5262 6.5666 7.1532 7.1532 9.7778 12.2498 12.2498 12.5217
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3808 6.1336 6.9083 6.9083 9.5745 12.2185 12.6643 12.6643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2146 5.6868 6.6741 6.6741 9.3767 11.8202 13.0851 13.0851
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0249 5.2369 6.4540 6.4540 9.1901 11.4018 13.5242 13.5242
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8149 4.7824 6.2494 6.2494 9.0174 10.9873 13.9687 13.9687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5838 4.3252 6.0619 6.0619 8.8620 10.5936 14.4193 14.4193
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3300 3.8669 5.8926 5.8926 8.7265 10.2280 14.8754 14.8754
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0583 3.4061 5.7412 5.7412 8.6119 9.8943 15.3311 15.3311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7647 2.9515 5.6096 5.6096 8.5214 9.5964 15.7987 15.7987
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4543 2.5007 5.4982 5.4982 8.4549 9.3310 16.2692 16.2692
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1265 2.0542 5.4060 5.4060 8.4084 9.0993 16.7381 16.7381
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7800 1.6152 5.3341 5.3341 8.3923 8.9024 17.2076 17.2076
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4169 1.1829 5.2823 5.2823 8.4000 8.7396 17.6637 17.6637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0378 0.7634 5.2513 5.2513 8.4395 8.6083 18.0779 18.0779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3534 0.3667 5.1620 5.2493 8.5182 8.6190 18.1820 18.2300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3444 0.3985 4.9547 5.2741 8.5467 8.9214 17.9021 18.0613
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3260 0.4512 4.6770 5.3153 8.5935 9.3598 17.5267 17.8151
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2938 0.5255 4.3798 5.3728 8.6596 9.8870 17.1107 17.5206
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2412 0.6185 4.0973 5.4455 8.7421 10.4766 16.6781 17.1973
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1632 0.7369 3.8537 5.5346 8.8468 11.1130 16.2482 16.8659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0472 0.8742 3.6634 5.6378 8.9665 11.7781 15.8149 16.4147
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1042 1.0324 3.5368 5.7556 9.1030 12.4658 15.3943 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2925 1.2111 3.4760 5.8867 9.2549 13.1573 14.9858 15.5880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5116 1.4121 3.4792 6.0305 9.4245 13.8221 14.5935 15.2609
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7541 1.6319 3.5387 6.1850 9.6041 14.2149 14.2553 15.1895
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0112 1.8754 3.6486 6.3490 9.7968 13.8545 14.1641 14.9272
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2753 2.1362 3.8005 6.5208 9.9966 13.5113 13.8777 14.6566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5434 2.4168 3.9880 6.6977 10.2012 13.1839 13.5670 14.4074
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0584 3.0377 4.4525 7.0578 10.6039 12.5860 12.9709 13.9984
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3022 3.3767 4.7219 7.2347 10.7866 12.3158 12.6957 13.8498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5325 3.7357 5.0117 7.4053 10.9446 12.0660 12.4392 13.7454
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7482 4.1104 5.3180 7.5631 11.0659 11.8329 12.1947 13.6867
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9485 4.5020 5.6394 7.7105 11.1478 11.6208 11.9664 13.6736
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1303 4.9112 5.9732 7.8432 11.1886 11.4323 11.7573 13.6884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2965 5.3336 6.3131 7.9574 11.1911 11.2597 11.5598 13.6884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4435 5.7704 6.6557 8.0538 11.1072 11.1689 11.3796 13.6172
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5710 6.2162 6.9948 8.1320 10.9752 11.1234 11.2149 13.4136
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6798 6.6657 7.3230 8.1942 10.8631 11.0625 11.0661 13.0808
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7694 7.1114 7.6298 8.2414 10.7713 10.9236 10.9942 12.6785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8392 7.5390 7.9015 8.2755 10.6998 10.8008 10.9035 12.2810
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8892 7.9209 8.1201 8.2985 10.6487 10.7003 10.7876 11.9557
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9185 8.2062 8.2650 8.3116 10.6181 10.6325 10.6657 11.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9286 8.3159 8.3159 8.3159 10.6079 10.6079 10.6079 11.6866
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4525 1.0140 6.9304 7.0103 9.7328 11.2948 11.3590 15.3186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4226 1.0333 6.6686 6.9483 9.9551 11.2380 11.4928 15.4781
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3735 1.0644 6.3161 6.8445 10.2195 11.1604 11.7361 15.6974
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3053 1.1050 5.9249 6.7006 10.4640 11.0867 12.1010 15.9016
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2145 1.1546 5.5260 6.5200 10.6765 11.0342 12.5766 15.9809
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1076 1.2068 5.1362 6.3067 10.8624 11.0128 13.1275 15.8690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9804 1.2583 4.7701 6.0678 11.0276 11.0396 13.7366 15.4046
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8362 1.2998 4.4421 5.8105 11.0798 11.2201 14.3839 14.9616
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6749 1.3199 4.1654 5.5421 11.1654 11.4079 14.5396 14.9542
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4967 1.3051 3.9560 5.2697 11.2871 11.6065 14.1453 14.6057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3046 1.2426 3.8266 4.9999 11.4384 11.8146 13.7718 14.2621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0987 1.1291 3.7819 4.7395 11.6182 12.0300 13.4364 13.9322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1159 0.9682 3.8173 4.4935 11.8197 12.2253 13.1537 13.6128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3377 0.7744 3.9198 4.2694 12.0348 12.3281 13.0032 13.3254
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5584 0.5584 4.0743 4.0743 12.2317 12.2317 13.0874 13.0874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3377 0.7744 3.9198 4.2694 12.0348 12.3281 13.0032 13.3254
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1159 0.9682 3.8173 4.4935 11.8197 12.2253 13.1537 13.6128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0987 1.1291 3.7819 4.7395 11.6182 12.0300 13.4364 13.9322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3046 1.2426 3.8266 4.9999 11.4384 11.8146 13.7718 14.2621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4967 1.3051 3.9560 5.2697 11.2871 11.6065 14.1453 14.6057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6749 1.3199 4.1654 5.5421 11.1654 11.4079 14.5396 14.9542
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8362 1.2998 4.4421 5.8105 11.0798 11.2201 14.3839 14.9616
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9804 1.2583 4.7701 6.0678 11.0276 11.0396 13.7366 15.4046
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1076 1.2068 5.1362 6.3067 10.8624 11.0128 13.1275 15.8690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2145 1.1546 5.5260 6.5200 10.6765 11.0342 12.5766 15.9809
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3053 1.1050 5.9249 6.7006 10.4640 11.0867 12.1010 15.9016
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3735 1.0644 6.3161 6.8445 10.2195 11.1604 11.7361 15.6974
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4226 1.0333 6.6686 6.9483 9.9551 11.2380 11.4928 15.4781
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4525 1.0140 6.9304 7.0103 9.7328 11.2948 11.3590 15.3186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9286 8.3159 8.3159 8.3159 10.6079 10.6079 10.6079 11.6866
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9205 8.2089 8.2992 8.2992 10.6313 10.6313 10.6387 11.7430
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8951 7.9288 8.2515 8.2515 10.6890 10.6985 10.6985 11.9190
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8540 7.5414 8.1778 8.1778 10.7015 10.8010 10.8010 12.2079
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7951 7.0974 8.0879 8.0879 10.6673 10.9290 10.9290 12.5744
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7195 6.6245 7.9875 7.9875 10.6007 11.0702 11.0702 12.9821
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6276 6.1385 7.8824 7.8824 10.5154 11.2125 11.2125 13.4073
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5198 5.6488 7.7768 7.7768 10.4227 11.3431 11.3431 13.8365
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3952 5.1619 7.6739 7.6739 10.3277 11.4528 11.4528 14.2606
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2569 4.6808 7.5755 7.5755 10.2273 11.5313 11.5313 14.6702
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1031 4.2077 7.4833 7.4833 10.1297 11.5756 11.5756 15.0493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9367 3.7476 7.3998 7.3998 10.0432 11.5903 11.5903 15.3642
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7568 3.3051 7.3232 7.3232 9.9631 11.5770 11.5770 15.5497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5662 2.8810 7.2551 7.2551 9.8913 11.5451 11.5451 15.5894
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3675 2.4787 7.1959 7.1959 9.8282 11.5027 11.5027 15.5469
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1656 2.1028 7.1457 7.1457 9.7720 11.4562 11.4562 15.4760
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9637 1.7603 7.1048 7.1048 9.7279 11.4123 11.4123 15.4052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7763 1.4614 7.0720 7.0720 9.6934 11.3711 11.3711 15.3440
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6137 1.2228 7.0495 7.0495 9.6691 11.3418 11.3418 15.2991
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.5028 1.0637 7.0357 7.0357 9.6477 11.3235 11.3235 15.2706
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4911 1.0543 7.0085 7.0196 9.6778 11.3064 11.3442 15.2876
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5708 1.1883 6.9450 6.9859 9.7831 11.2773 11.4234 15.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6887 1.3932 6.8508 6.9341 9.9278 11.2424 11.5535 15.4377
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8252 1.6540 6.7388 6.8671 10.0905 11.2232 11.7237 15.3852
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9694 1.9559 6.6191 6.7905 10.2283 11.2547 11.9300 14.9888
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1117 2.2890 6.4995 6.7090 10.2943 11.3805 12.1636 14.3922
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2485 2.6431 6.3885 6.6269 10.2761 11.6064 12.4192 13.7608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3755 3.0118 6.2907 6.5475 10.1988 11.9028 12.6872 13.1509
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4883 3.3831 6.2110 6.4740 10.0763 12.2264 12.5982 12.9578
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5860 3.7466 6.1549 6.4090 9.9165 12.0562 12.6279 13.2215
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6674 4.0849 6.1274 6.3529 9.7187 11.6507 12.9841 13.4604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7313 4.3778 6.1356 6.3083 9.4903 11.3425 13.3372 13.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7778 4.6013 6.1750 6.2758 9.2608 11.1377 13.6521 13.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8056 4.7374 6.2256 6.2560 9.0846 11.0236 13.8817 13.9334
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8149 4.7824 6.2494 6.2494 9.0174 10.9873 13.9687 13.9687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8056 4.7374 6.2256 6.2560 9.0846 11.0236 13.8817 13.9334
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7778 4.6013 6.1750 6.2758 9.2608 11.1377 13.6521 13.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7313 4.3778 6.1356 6.3083 9.4903 11.3425 13.3372 13.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6674 4.0849 6.1274 6.3529 9.7187 11.6507 12.9841 13.4604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5860 3.7466 6.1549 6.4090 9.9165 12.0562 12.6279 13.2215
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4883 3.3831 6.2110 6.4740 10.0763 12.2264 12.5982 12.9578
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3755 3.0118 6.2907 6.5475 10.1988 11.9028 12.6872 13.1509
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2485 2.6431 6.3885 6.6269 10.2761 11.6064 12.4192 13.7608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1117 2.2890 6.4995 6.7090 10.2943 11.3805 12.1636 14.3922
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9694 1.9559 6.6191 6.7905 10.2283 11.2547 11.9300 14.9888
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8252 1.6540 6.7388 6.8671 10.0905 11.2232 11.7237 15.3852
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6887 1.3932 6.8508 6.9341 9.9278 11.2424 11.5535 15.4377
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5708 1.1883 6.9450 6.9859 9.7831 11.2773 11.4234 15.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4911 1.0543 7.0085 7.0196 9.6778 11.3064 11.3442 15.2876
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0378 0.7634 5.2513 5.2513 8.4395 8.6083 18.0779 18.0779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4169 1.1829 5.2823 5.2823 8.4000 8.7396 17.6637 17.6637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7800 1.6152 5.3341 5.3341 8.3923 8.9024 17.2076 17.2076
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1265 2.0542 5.4060 5.4060 8.4084 9.0993 16.7381 16.7381
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4543 2.5007 5.4982 5.4982 8.4549 9.3310 16.2692 16.2692
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7647 2.9515 5.6096 5.6096 8.5214 9.5964 15.7987 15.7987
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0583 3.4061 5.7412 5.7412 8.6119 9.8943 15.3311 15.3311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3300 3.8669 5.8926 5.8926 8.7265 10.2280 14.8754 14.8754
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5838 4.3252 6.0619 6.0619 8.8620 10.5936 14.4193 14.4193
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8149 4.7824 6.2494 6.2494 9.0174 10.9873 13.9687 13.9687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0249 5.2369 6.4540 6.4540 9.1901 11.4018 13.5242 13.5242
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2146 5.6868 6.6741 6.6741 9.3767 11.8202 13.0851 13.0851
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3808 6.1336 6.9083 6.9083 9.5745 12.2185 12.6643 12.6643
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5262 6.5666 7.1532 7.1532 9.7778 12.2498 12.2498 12.5217
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6488 6.9854 7.4045 7.4045 9.9825 11.8529 11.8529 12.6131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7499 7.3803 7.6562 7.6562 10.1752 11.4815 11.4815 12.4733
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8286 7.7381 7.8968 7.8968 10.3473 11.1470 11.1470 12.2150
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8849 8.0360 8.1074 8.1074 10.4856 10.8690 10.8690 11.9519
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9173 8.2420 8.2596 8.2596 10.5763 10.6778 10.6778 11.7583
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9286 8.3159 8.3159 8.3159 10.6079 10.6079 10.6079 11.6866
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0943 0.6278 5.2264 5.2284 8.4903 8.6015 18.1104 18.1712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1551 0.9061 5.1817 5.1973 8.5472 8.7633 17.6233 17.9302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3901 1.1867 5.1097 5.1596 8.6752 8.9861 16.9901 17.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6095 1.4636 5.0171 5.1295 8.8658 9.2587 16.3048 17.3543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8126 1.7289 4.9119 5.1215 9.1090 9.5769 15.6043 17.0456
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9985 1.9716 4.8012 5.1489 9.3960 9.9323 14.9047 16.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1655 2.1851 4.6915 5.2246 9.7200 10.3212 14.2177 16.3861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3137 2.3591 4.5871 5.3569 10.0741 10.7377 13.5507 16.0324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4431 2.4913 4.4913 5.5472 10.4521 11.1739 12.9158 15.6585
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5534 2.5844 4.4071 5.7880 10.8530 11.6093 12.3399 15.2659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6428 2.6465 4.3370 6.0641 11.2725 11.6416 12.2370 14.8595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7139 2.6834 4.2803 6.3500 11.1861 11.7027 12.6985 14.4316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7644 2.7041 4.2396 6.6135 10.7837 12.1398 13.2183 13.9962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7947 2.7144 4.2149 6.8057 10.5062 12.5736 13.5640 13.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7947 2.7144 4.2149 6.8057 10.5062 12.5736 13.5640 13.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7644 2.7041 4.2396 6.6135 10.7837 12.1398 13.2183 13.9962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7139 2.6834 4.2803 6.3500 11.1861 11.7027 12.6985 14.4316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6428 2.6465 4.3370 6.0641 11.2725 11.6416 12.2370 14.8595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5534 2.5844 4.4071 5.7880 10.8530 11.6093 12.3399 15.2659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4431 2.4913 4.4913 5.5472 10.4521 11.1739 12.9158 15.6585
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3137 2.3591 4.5871 5.3569 10.0741 10.7377 13.5507 16.0324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1655 2.1851 4.6915 5.2246 9.7200 10.3212 14.2177 16.3861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9985 1.9716 4.8012 5.1489 9.3960 9.9323 14.9047 16.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8126 1.7289 4.9119 5.1215 9.1090 9.5769 15.6043 17.0456
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6095 1.4636 5.0171 5.1295 8.8658 9.2587 16.3048 17.3543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3901 1.1867 5.1097 5.1596 8.6752 8.9861 16.9901 17.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1551 0.9061 5.1817 5.1973 8.5472 8.7633 17.6233 17.9302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0943 0.6278 5.2264 5.2284 8.4903 8.6015 18.1104 18.1712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4911 1.0543 7.0085 7.0196 9.6778 11.3064 11.3442 15.2876
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5708 1.1883 6.9450 6.9859 9.7831 11.2773 11.4234 15.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6887 1.3932 6.8508 6.9341 9.9278 11.2424 11.5535 15.4377
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8252 1.6540 6.7388 6.8671 10.0905 11.2232 11.7237 15.3852
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9694 1.9559 6.6191 6.7905 10.2283 11.2547 11.9300 14.9888
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1117 2.2890 6.4995 6.7090 10.2943 11.3805 12.1636 14.3922
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2485 2.6431 6.3885 6.6269 10.2761 11.6064 12.4192 13.7608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3755 3.0118 6.2907 6.5475 10.1988 11.9028 12.6872 13.1509
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4883 3.3831 6.2110 6.4740 10.0763 12.2264 12.5982 12.9578
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5860 3.7466 6.1549 6.4090 9.9165 12.0562 12.6279 13.2215
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6674 4.0849 6.1274 6.3529 9.7187 11.6507 12.9841 13.4604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7313 4.3778 6.1356 6.3083 9.4903 11.3425 13.3372 13.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7778 4.6013 6.1750 6.2758 9.2608 11.1377 13.6521 13.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8056 4.7374 6.2256 6.2560 9.0846 11.0236 13.8817 13.9334
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8149 4.7824 6.2494 6.2494 9.0174 10.9873 13.9687 13.9687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8056 4.7374 6.2256 6.2560 9.0846 11.0236 13.8817 13.9334
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7778 4.6013 6.1750 6.2758 9.2608 11.1377 13.6521 13.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7313 4.3778 6.1356 6.3083 9.4903 11.3425 13.3372 13.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6674 4.0849 6.1274 6.3529 9.7187 11.6507 12.9841 13.4604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5860 3.7466 6.1549 6.4090 9.9165 12.0562 12.6279 13.2215
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4883 3.3831 6.2110 6.4740 10.0763 12.2264 12.5982 12.9578
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3755 3.0118 6.2907 6.5475 10.1988 11.9028 12.6872 13.1509
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2485 2.6431 6.3885 6.6269 10.2761 11.6064 12.4192 13.7608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1117 2.2890 6.4995 6.7090 10.2943 11.3805 12.1636 14.3922
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9694 1.9559 6.6191 6.7905 10.2283 11.2547 11.9300 14.9888
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8252 1.6540 6.7388 6.8671 10.0905 11.2232 11.7237 15.3852
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6887 1.3932 6.8508 6.9341 9.9278 11.2424 11.5535 15.4377
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5708 1.1883 6.9450 6.9859 9.7831 11.2773 11.4234 15.3593
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4911 1.0543 7.0085 7.0196 9.6778 11.3064 11.3442 15.2876
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3605 0.3605 5.2006 5.2006 8.5768 8.5768 18.1849 18.1849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3737 0.3737 5.0897 5.0897 8.7708 8.7708 17.8308 17.8308
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3942 0.3942 4.9322 4.9322 9.0670 9.0670 17.2761 17.2761
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4213 0.4213 4.7537 4.7537 9.4418 9.4418 16.6427 16.6427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4527 0.4527 4.5744 4.5744 9.8771 9.8771 15.9807 15.9807
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4840 0.4840 4.4091 4.4091 10.3541 10.3541 15.3104 15.3104
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5141 0.5141 4.2694 4.2694 10.8664 10.8664 14.6502 14.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5388 0.5388 4.1635 4.1635 11.3998 11.3998 14.0118 14.0118
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5548 0.5548 4.0974 4.0974 11.9220 11.9220 13.4251 13.4251
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5584 0.5584 4.0743 4.0743 12.2317 12.2317 13.0874 13.0874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5548 0.5548 4.0974 4.0974 11.9220 11.9220 13.4251 13.4251
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5388 0.5388 4.1635 4.1635 11.3998 11.3998 14.0118 14.0118
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5141 0.5141 4.2694 4.2694 10.8664 10.8664 14.6502 14.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4840 0.4840 4.4091 4.4091 10.3541 10.3541 15.3104 15.3104
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4527 0.4527 4.5744 4.5744 9.8771 9.8771 15.9807 15.9807
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4213 0.4213 4.7537 4.7537 9.4418 9.4418 16.6427 16.6427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3942 0.3942 4.9322 4.9322 9.0670 9.0670 17.2761 17.2761
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3737 0.3737 5.0897 5.0897 8.7708 8.7708 17.8308 17.8308
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3605 0.3605 5.2006 5.2006 8.5768 8.5768 18.1849 18.1849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0943 0.6278 5.2264 5.2284 8.4903 8.6015 18.1104 18.1712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1551 0.9061 5.1817 5.1973 8.5472 8.7633 17.6233 17.9302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3901 1.1867 5.1097 5.1596 8.6752 8.9861 16.9901 17.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6095 1.4636 5.0171 5.1295 8.8658 9.2587 16.3048 17.3543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8126 1.7289 4.9119 5.1215 9.1090 9.5769 15.6043 17.0456
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9985 1.9716 4.8012 5.1489 9.3960 9.9323 14.9047 16.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1655 2.1851 4.6915 5.2246 9.7200 10.3212 14.2177 16.3861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3137 2.3591 4.5871 5.3569 10.0741 10.7377 13.5507 16.0324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4431 2.4913 4.4913 5.5472 10.4521 11.1739 12.9158 15.6585
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5534 2.5844 4.4071 5.7880 10.8530 11.6093 12.3399 15.2659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6428 2.6465 4.3370 6.0641 11.2725 11.6416 12.2370 14.8595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7139 2.6834 4.2803 6.3500 11.1861 11.7027 12.6985 14.4316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7644 2.7041 4.2396 6.6135 10.7837 12.1398 13.2183 13.9962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7947 2.7144 4.2149 6.8057 10.5062 12.5736 13.5640 13.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7947 2.7144 4.2149 6.8057 10.5062 12.5736 13.5640 13.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7644 2.7041 4.2396 6.6135 10.7837 12.1398 13.2183 13.9962
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7139 2.6834 4.2803 6.3500 11.1861 11.7027 12.6985 14.4316
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6428 2.6465 4.3370 6.0641 11.2725 11.6416 12.2370 14.8595
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5534 2.5844 4.4071 5.7880 10.8530 11.6093 12.3399 15.2659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4431 2.4913 4.4913 5.5472 10.4521 11.1739 12.9158 15.6585
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3137 2.3591 4.5871 5.3569 10.0741 10.7377 13.5507 16.0324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1655 2.1851 4.6915 5.2246 9.7200 10.3212 14.2177 16.3861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9985 1.9716 4.8012 5.1489 9.3960 9.9323 14.9047 16.7224
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8126 1.7289 4.9119 5.1215 9.1090 9.5769 15.6043 17.0456
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6095 1.4636 5.0171 5.1295 8.8658 9.2587 16.3048 17.3543
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3901 1.1867 5.1097 5.1596 8.6752 8.9861 16.9901 17.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1551 0.9061 5.1817 5.1973 8.5472 8.7633 17.6233 17.9302
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0943 0.6278 5.2264 5.2284 8.4903 8.6015 18.1104 18.1712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3605 0.3605 5.2006 5.2006 8.5768 8.5768 18.1849 18.1849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3737 0.3737 5.0897 5.0897 8.7708 8.7708 17.8308 17.8308
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3942 0.3942 4.9322 4.9322 9.0670 9.0670 17.2761 17.2761
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4213 0.4213 4.7537 4.7537 9.4418 9.4418 16.6427 16.6427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4527 0.4527 4.5744 4.5744 9.8771 9.8771 15.9807 15.9807
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4840 0.4840 4.4091 4.4091 10.3541 10.3541 15.3104 15.3104
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5141 0.5141 4.2694 4.2694 10.8664 10.8664 14.6502 14.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5388 0.5388 4.1635 4.1635 11.3998 11.3998 14.0118 14.0118
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5548 0.5548 4.0974 4.0974 11.9220 11.9220 13.4251 13.4251
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5584 0.5584 4.0743 4.0743 12.2317 12.2317 13.0874 13.0874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5548 0.5548 4.0974 4.0974 11.9220 11.9220 13.4251 13.4251
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5388 0.5388 4.1635 4.1635 11.3998 11.3998 14.0118 14.0118
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5141 0.5141 4.2694 4.2694 10.8664 10.8664 14.6502 14.6502
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4840 0.4840 4.4091 4.4091 10.3541 10.3541 15.3104 15.3104
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4527 0.4527 4.5744 4.5744 9.8771 9.8771 15.9807 15.9807
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4213 0.4213 4.7537 4.7537 9.4418 9.4418 16.6427 16.6427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3942 0.3942 4.9322 4.9322 9.0670 9.0670 17.2761 17.2761
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3737 0.3737 5.0897 5.0897 8.7708 8.7708 17.8308 17.8308
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3605 0.3605 5.2006 5.2006 8.5768 8.5768 18.1849 18.1849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9286 8.3159 8.3159 8.3159 10.6079 10.6079 10.6079 11.6866
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9185 8.2062 8.2650 8.3116 10.6181 10.6325 10.6657 11.7529
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8892 7.9209 8.1201 8.2985 10.6487 10.7003 10.7876 11.9557
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8392 7.5390 7.9015 8.2755 10.6998 10.8008 10.9035 12.2810
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7694 7.1114 7.6298 8.2414 10.7713 10.9236 10.9942 12.6785
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6798 6.6657 7.3230 8.1942 10.8631 11.0625 11.0661 13.0808
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5710 6.2162 6.9948 8.1320 10.9752 11.1234 11.2149 13.4136
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4435 5.7704 6.6557 8.0538 11.1072 11.1689 11.3796 13.6172
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2965 5.3336 6.3131 7.9574 11.1911 11.2597 11.5598 13.6884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1303 4.9112 5.9732 7.8432 11.1886 11.4323 11.7573 13.6884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9485 4.5020 5.6394 7.7105 11.1478 11.6208 11.9664 13.6736
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7482 4.1104 5.3180 7.5631 11.0659 11.8329 12.1947 13.6867
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5325 3.7357 5.0117 7.4053 10.9446 12.0660 12.4392 13.7454
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3022 3.3767 4.7219 7.2347 10.7866 12.3158 12.6957 13.8498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0584 3.0377 4.4525 7.0578 10.6039 12.5860 12.9709 13.9984
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5434 2.4168 3.9880 6.6977 10.2012 13.1839 13.5670 14.4074
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2753 2.1362 3.8005 6.5208 9.9966 13.5113 13.8777 14.6566
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0112 1.8754 3.6486 6.3490 9.7968 13.8545 14.1641 14.9272
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7541 1.6319 3.5387 6.1850 9.6041 14.2149 14.2553 15.1895
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5116 1.4121 3.4792 6.0305 9.4245 13.8221 14.5935 15.2609
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2925 1.2111 3.4760 5.8867 9.2549 13.1573 14.9858 15.5880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1042 1.0324 3.5368 5.7556 9.1030 12.4658 15.3943 15.9859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0472 0.8742 3.6634 5.6378 8.9665 11.7781 15.8149 16.4147
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1632 0.7369 3.8537 5.5346 8.8468 11.1130 16.2482 16.8659
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2412 0.6185 4.0973 5.4455 8.7421 10.4766 16.6781 17.1973
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2938 0.5255 4.3798 5.3728 8.6596 9.8870 17.1107 17.5206
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3260 0.4512 4.6770 5.3153 8.5935 9.3598 17.5267 17.8151
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3444 0.3985 4.9547 5.2741 8.5467 8.9214 17.9021 18.0613
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3534 0.3667 5.1620 5.2493 8.5182 8.6190 18.1820 18.2300
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3561 0.3561 5.2410 5.2410 8.5087 8.5087 18.2909 18.2909
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1599 0.5600 5.1985 5.2482 8.4960 8.5971 18.1673 18.1926
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0267 0.7694 5.0821 5.2700 8.5190 8.7909 17.8476 17.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2026 0.9806 4.9174 5.3060 8.5641 9.0811 17.4168 17.5214
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3669 1.1884 4.7332 5.3564 8.6298 9.4438 16.9385 17.0539
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5196 1.3834 4.5548 5.4201 8.7121 9.8604 16.4349 16.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6597 1.5570 4.4062 5.4977 8.8127 10.3194 15.9374 16.0234
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7874 1.6921 4.3091 5.5876 8.9319 10.8140 15.4391 15.4905
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9023 1.7753 4.2832 5.6902 9.0662 11.3348 14.9521 14.9581
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0049 1.7987 4.3397 5.8040 9.2158 11.8765 14.4316 14.4796
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0968 1.7653 4.4762 5.9279 9.3789 12.4288 13.9205 14.0239
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1752 1.6906 4.6801 6.0606 9.5524 12.9318 13.4837 13.5910
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2424 1.5925 4.9345 6.1997 9.7325 12.8134 13.1807 13.6994
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2990 1.4826 5.2252 6.3427 9.9126 12.3709 12.7992 14.2656
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3469 1.3728 5.5398 6.4861 10.0790 11.9402 12.4498 14.8418
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3848 1.2697 5.8644 6.6252 10.2001 11.5646 12.1327 15.3562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4148 1.1796 6.1895 6.7546 10.2221 11.3106 11.8575 15.6324
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4359 1.1066 6.4990 6.8672 10.0968 11.2260 11.6313 15.5803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4507 1.0521 6.7681 6.9547 9.8885 11.2514 11.4589 15.4264
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4596 1.0187 6.9598 7.0115 9.7117 11.2970 11.3532 15.3052
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8045 2.7178 4.2067 6.8778 10.4061 12.8756 13.2631 14.1865
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7980 2.6326 4.3085 6.8812 10.4114 12.7915 13.0738 14.3842
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7781 2.4267 4.5634 6.8912 10.4240 12.5902 12.7090 14.7717
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7474 2.1747 4.8983 6.9070 10.4401 12.3209 12.3491 15.1961
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7048 1.9157 5.2713 6.9279 10.4470 11.9553 12.1075 15.5849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6539 1.6705 5.6596 6.9516 10.4172 11.6455 11.8840 15.8287
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6014 1.4500 6.0449 6.9744 10.3111 11.4324 11.6867 15.8105
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5488 1.2657 6.4088 6.9968 10.1221 11.3335 11.5288 15.6332
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5031 1.1259 6.7236 7.0152 9.8982 11.3099 11.4126 15.4429
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4732 1.0376 6.9476 7.0270 9.7132 11.3128 11.3413 15.3087
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4525 1.0140 6.9304 7.0103 9.7328 11.2948 11.3590 15.3186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4226 1.0333 6.6686 6.9483 9.9551 11.2380 11.4928 15.4781
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3735 1.0644 6.3161 6.8445 10.2195 11.1604 11.7361 15.6974
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3053 1.1050 5.9249 6.7006 10.4640 11.0867 12.1010 15.9016
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2145 1.1546 5.5260 6.5200 10.6765 11.0342 12.5766 15.9809
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1076 1.2068 5.1362 6.3067 10.8624 11.0128 13.1275 15.8690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9804 1.2583 4.7701 6.0678 11.0276 11.0396 13.7366 15.4046
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8362 1.2998 4.4421 5.8105 11.0798 11.2201 14.3839 14.9616
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6749 1.3199 4.1654 5.5421 11.1654 11.4079 14.5396 14.9542
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4967 1.3051 3.9560 5.2697 11.2871 11.6065 14.1453 14.6057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3046 1.2426 3.8266 4.9999 11.4384 11.8146 13.7718 14.2621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0987 1.1291 3.7819 4.7395 11.6182 12.0300 13.4364 13.9322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1159 0.9682 3.8173 4.4935 11.8197 12.2253 13.1537 13.6128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3377 0.7744 3.9198 4.2694 12.0348 12.3281 13.0032 13.3254
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5584 0.5584 4.0743 4.0743 12.2317 12.2317 13.0874 13.0874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3377 0.7744 3.9198 4.2694 12.0348 12.3281 13.0032 13.3254
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1159 0.9682 3.8173 4.4935 11.8197 12.2253 13.1537 13.6128
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0987 1.1291 3.7819 4.7395 11.6182 12.0300 13.4364 13.9322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3046 1.2426 3.8266 4.9999 11.4384 11.8146 13.7718 14.2621
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4967 1.3051 3.9560 5.2697 11.2871 11.6065 14.1453 14.6057
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6749 1.3199 4.1654 5.5421 11.1654 11.4079 14.5396 14.9542
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8362 1.2998 4.4421 5.8105 11.0798 11.2201 14.3839 14.9616
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9804 1.2583 4.7701 6.0678 11.0276 11.0396 13.7366 15.4046
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1076 1.2068 5.1362 6.3067 10.8624 11.0128 13.1275 15.8690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2145 1.1546 5.5260 6.5200 10.6765 11.0342 12.5766 15.9809
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3053 1.1050 5.9249 6.7006 10.4640 11.0867 12.1010 15.9016
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3735 1.0644 6.3161 6.8445 10.2195 11.1604 11.7361 15.6974
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4226 1.0333 6.6686 6.9483 9.9551 11.2380 11.4928 15.4781
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4525 1.0140 6.9304 7.0103 9.7328 11.2948 11.3590 15.3186
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4625 1.0075 7.0312 7.0312 9.6427 11.3173 11.3173 15.2610
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0757 9.0345
|
|
|
|
! total energy = -15.47375615 Ry
|
|
estimated scf accuracy < 1.5E-09 Ry
|
|
|
|
convergence has been achieved in 3 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
|
|
total energy = -15.47375841 Ry
|
|
Harris-Foulkes estimate = -15.47375841 Ry
|
|
est. exchange err (dexx) = 0.00000226 Ry
|
|
- averaged Fock potential = 0.90262719 Ry
|
|
+ Fock energy (ACE) = -0.45123016 Ry
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 242.6 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2619 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 3.38E-10, avg # of iterations = 1.0
|
|
|
|
total cpu time spent up to now is 244.9 secs
|
|
|
|
total energy = -15.47375852 Ry
|
|
estimated scf accuracy < 0.00000005 Ry
|
|
|
|
iteration # 2 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2639 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 5.83E-10, avg # of iterations = 1.5
|
|
|
|
total cpu time spent up to now is 247.3 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9245 2.8170 5.9668 6.0755 9.6334 10.9856 11.0824 14.5544
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8391 0.2229 3.1434 4.4245 9.0342 11.8623 13.3530 13.4638
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0352 7.0352 9.6472 11.3233 11.3233 15.2704
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6142 1.2224 7.0489 7.0489 9.6686 11.3416 11.3416 15.2989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7768 1.4610 7.0715 7.0715 9.6929 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9642 1.7599 7.1042 7.1042 9.7275 11.4121 11.4121 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1660 2.1023 7.1452 7.1452 9.7715 11.4560 11.4560 15.4758
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3680 2.4783 7.1954 7.1954 9.8278 11.5024 11.5024 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5666 2.8805 7.2546 7.2546 9.8908 11.5448 11.5448 15.5891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3227 7.3227 9.9627 11.5767 11.5767 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9372 3.7471 7.3993 7.3993 10.0428 11.5899 11.5899 15.3637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4828 7.4828 10.1293 11.5753 11.5753 15.0488
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2573 4.6803 7.5749 7.5749 10.2269 11.5309 11.5309 14.6696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3956 5.1614 7.6733 7.6733 10.3273 11.4524 11.4524 14.2600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6483 7.7762 7.7762 10.4223 11.3428 11.3428 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6280 6.1380 7.8818 7.8818 10.5150 11.2121 11.2121 13.4067
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7200 6.6240 7.9869 7.9869 10.6003 11.0698 11.0698 12.9815
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7955 7.0969 8.0873 8.0873 10.6669 10.9286 10.9286 12.5738
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5409 8.1772 8.1772 10.7011 10.8007 10.8007 12.2073
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9282 8.2509 8.2509 10.6887 10.6982 10.6982 11.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9209 8.2083 8.2986 8.2986 10.6310 10.6310 10.6384 11.7423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9290 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9177 8.2414 8.2590 8.2590 10.5760 10.6775 10.6775 11.7577
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8854 8.0354 8.1068 8.1068 10.4852 10.8686 10.8686 11.9513
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8291 7.7375 7.8962 7.8962 10.3470 11.1466 11.1466 12.2144
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7503 7.3797 7.6556 7.6556 10.1749 11.4811 11.4811 12.4727
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9848 7.4039 7.4039 9.9822 11.8525 11.8525 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5266 6.5660 7.1527 7.1527 9.7775 12.2494 12.2494 12.5213
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3813 6.1330 6.9078 6.9078 9.5742 12.2182 12.6639 12.6639
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2151 5.6862 6.6736 6.6736 9.3764 11.8199 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0254 5.2363 6.4535 6.4535 9.1898 11.4015 13.5238 13.5238
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8153 4.7819 6.2490 6.2490 9.0171 10.9871 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5843 4.3246 6.0614 6.0614 8.8617 10.5934 14.4189 14.4189
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3304 3.8663 5.8921 5.8921 8.7262 10.2278 14.8749 14.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0588 3.4055 5.7407 5.7407 8.6116 9.8941 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7652 2.9510 5.6092 5.6092 8.5211 9.5962 15.7982 15.7982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4548 2.5001 5.4978 5.4978 8.4547 9.3308 16.2687 16.2687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0537 5.4056 5.4056 8.4081 9.0991 16.7376 16.7376
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7805 1.6146 5.3337 5.3337 8.3920 8.9022 17.2071 17.2071
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4174 1.1824 5.2819 5.2819 8.3997 8.7393 17.6632 17.6632
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0383 0.7629 5.2509 5.2509 8.4393 8.6081 18.0775 18.0775
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3529 0.3662 5.1616 5.2488 8.5179 8.6187 18.1816 18.2295
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3439 0.3980 4.9542 5.2737 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3255 0.4507 4.6766 5.3149 8.5933 9.3595 17.5263 17.8146
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2933 0.5250 4.3794 5.3724 8.6593 9.8867 17.1103 17.5202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2407 0.6180 4.0969 5.4450 8.7419 10.4762 16.6777 17.1968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8534 5.5342 8.8466 11.1127 16.2478 16.8654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0467 0.8737 3.6631 5.6374 8.9662 11.7777 15.8145 16.4142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1047 1.0319 3.5365 5.7552 9.1028 12.4654 15.3940 15.9854
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2930 1.2106 3.4757 5.8862 9.2547 13.1569 14.9855 15.5875
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5121 1.4115 3.4788 6.0300 9.4242 13.8217 14.5931 15.2604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7546 1.6314 3.5384 6.1845 9.6039 14.2146 14.2549 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0117 1.8749 3.6483 6.3485 9.7965 13.8542 14.1636 14.9268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2758 2.1357 3.8001 6.5203 9.9964 13.5109 13.8772 14.6562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5438 2.4163 3.9876 6.6972 10.2009 13.1835 13.5665 14.4070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0588 3.0372 4.4521 7.0573 10.6035 12.5856 12.9704 13.9980
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3026 3.3762 4.7216 7.2342 10.7862 12.3155 12.6952 13.8494
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5329 3.7352 5.0113 7.4047 10.9442 12.0657 12.4387 13.7451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7486 4.1099 5.3175 7.5626 11.0656 11.8326 12.1942 13.6864
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5015 5.6390 7.7099 11.1474 11.6205 11.9660 13.6732
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1307 4.9107 5.9727 7.8426 11.1883 11.4320 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3331 6.3127 7.9568 11.1907 11.2594 11.5593 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4439 5.7699 6.6553 8.0532 11.1069 11.1685 11.3792 13.6167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2156 6.9943 8.1314 10.9749 11.1230 11.2144 13.4131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3225 8.1936 10.8628 11.0621 11.0657 13.0803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7698 7.1108 7.6293 8.2408 10.7709 10.9232 10.9938 12.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5385 7.9010 8.2749 10.6995 10.8005 10.9031 12.2804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8897 7.9203 8.1195 8.2979 10.6484 10.6999 10.7873 11.9551
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9190 8.2056 8.2644 8.3110 10.6178 10.6322 10.6654 11.7523
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9290 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4530 1.0136 6.9298 7.0098 9.7323 11.2946 11.3587 15.3185
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9547 11.2377 11.4925 15.4779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3156 6.8440 10.2191 11.1602 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1007 15.9014
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5763 15.9806
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0126 13.1271 15.8686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9809 1.2579 4.7697 6.0674 11.0273 11.0393 13.7362 15.4042
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0795 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6754 1.3195 4.1650 5.5417 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6062 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2421 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1286 3.7815 4.7391 11.6178 12.0296 13.4361 13.9319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1154 0.9677 3.8170 4.4932 11.8194 12.2249 13.1534 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9195 4.2691 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9195 4.2691 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1154 0.9677 3.8170 4.4932 11.8194 12.2249 13.1534 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1286 3.7815 4.7391 11.6178 12.0296 13.4361 13.9319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2421 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6062 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6754 1.3195 4.1650 5.5417 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0795 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9809 1.2579 4.7697 6.0674 11.0273 11.0393 13.7362 15.4042
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0126 13.1271 15.8686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5763 15.9806
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1007 15.9014
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3156 6.8440 10.2191 11.1602 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9547 11.2377 11.4925 15.4779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4530 1.0136 6.9298 7.0098 9.7323 11.2946 11.3587 15.3185
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9290 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9209 8.2083 8.2986 8.2986 10.6310 10.6310 10.6384 11.7423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9282 8.2509 8.2509 10.6887 10.6982 10.6982 11.9184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5409 8.1772 8.1772 10.7011 10.8007 10.8007 12.2073
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7955 7.0969 8.0873 8.0873 10.6669 10.9286 10.9286 12.5738
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7200 6.6240 7.9869 7.9869 10.6003 11.0698 11.0698 12.9815
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6280 6.1380 7.8818 7.8818 10.5150 11.2121 11.2121 13.4067
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6483 7.7762 7.7762 10.4223 11.3428 11.3428 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3956 5.1614 7.6733 7.6733 10.3273 11.4524 11.4524 14.2600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2573 4.6803 7.5749 7.5749 10.2269 11.5309 11.5309 14.6696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4828 7.4828 10.1293 11.5753 11.5753 15.0488
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9372 3.7471 7.3993 7.3993 10.0428 11.5899 11.5899 15.3637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3227 7.3227 9.9627 11.5767 11.5767 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5666 2.8805 7.2546 7.2546 9.8908 11.5448 11.5448 15.5891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3680 2.4783 7.1954 7.1954 9.8278 11.5024 11.5024 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1660 2.1023 7.1452 7.1452 9.7715 11.4560 11.4560 15.4758
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9642 1.7599 7.1042 7.1042 9.7275 11.4121 11.4121 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7768 1.4610 7.0715 7.0715 9.6929 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6142 1.2224 7.0489 7.0489 9.6686 11.3416 11.3416 15.2989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0352 7.0352 9.6472 11.3233 11.3233 15.2704
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0539 7.0080 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7383 6.8666 10.0901 11.2229 11.7234 15.3850
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9698 1.9555 6.6186 6.7900 10.2278 11.2544 11.9297 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2886 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3880 6.6264 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0114 6.2902 6.5470 10.1985 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3826 6.2105 6.4735 10.0760 12.2260 12.5979 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1544 6.4085 9.9162 12.0559 12.6275 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6678 4.0844 6.1270 6.3524 9.7184 11.6504 12.9837 13.4600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7317 4.3772 6.1352 6.3079 9.4900 11.3422 13.3368 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2605 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7368 6.2252 6.2556 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8153 4.7819 6.2490 6.2490 9.0171 10.9871 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7368 6.2252 6.2556 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2605 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7317 4.3772 6.1352 6.3079 9.4900 11.3422 13.3368 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6678 4.0844 6.1270 6.3524 9.7184 11.6504 12.9837 13.4600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1544 6.4085 9.9162 12.0559 12.6275 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3826 6.2105 6.4735 10.0760 12.2260 12.5979 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0114 6.2902 6.5470 10.1985 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3880 6.6264 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2886 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9698 1.9555 6.6186 6.7900 10.2278 11.2544 11.9297 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7383 6.8666 10.0901 11.2229 11.7234 15.3850
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0539 7.0080 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0383 0.7629 5.2509 5.2509 8.4393 8.6081 18.0775 18.0775
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4174 1.1824 5.2819 5.2819 8.3997 8.7393 17.6632 17.6632
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7805 1.6146 5.3337 5.3337 8.3920 8.9022 17.2071 17.2071
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0537 5.4056 5.4056 8.4081 9.0991 16.7376 16.7376
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4548 2.5001 5.4978 5.4978 8.4547 9.3308 16.2687 16.2687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7652 2.9510 5.6092 5.6092 8.5211 9.5962 15.7982 15.7982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0588 3.4055 5.7407 5.7407 8.6116 9.8941 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3304 3.8663 5.8921 5.8921 8.7262 10.2278 14.8749 14.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5843 4.3246 6.0614 6.0614 8.8617 10.5934 14.4189 14.4189
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8153 4.7819 6.2490 6.2490 9.0171 10.9871 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0254 5.2363 6.4535 6.4535 9.1898 11.4015 13.5238 13.5238
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2151 5.6862 6.6736 6.6736 9.3764 11.8199 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3813 6.1330 6.9078 6.9078 9.5742 12.2182 12.6639 12.6639
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5266 6.5660 7.1527 7.1527 9.7775 12.2494 12.2494 12.5213
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9848 7.4039 7.4039 9.9822 11.8525 11.8525 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7503 7.3797 7.6556 7.6556 10.1749 11.4811 11.4811 12.4727
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8291 7.7375 7.8962 7.8962 10.3470 11.1466 11.1466 12.2144
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8854 8.0354 8.1068 8.1068 10.4852 10.8686 10.8686 11.9513
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9177 8.2414 8.2590 8.2590 10.5760 10.6775 10.6775 11.7577
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9290 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0938 0.6273 5.2260 5.2280 8.4901 8.6013 18.1099 18.1708
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9056 5.1813 5.1968 8.5470 8.7630 17.6229 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3906 1.1862 5.1093 5.1592 8.6749 8.9859 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1291 8.8655 9.2585 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1211 9.1087 9.5767 15.6038 17.0451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9711 4.8008 5.1485 9.3957 9.9321 14.9043 16.7220
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1659 2.1846 4.6912 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3142 2.3586 4.5867 5.3564 10.0737 10.7374 13.5503 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4435 2.4908 4.4909 5.5468 10.4518 11.1736 12.9154 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5839 4.4067 5.7876 10.8527 11.6090 12.3395 15.2654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6432 2.6459 4.3366 6.0637 11.2721 11.6413 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2799 6.3495 11.1857 11.7024 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2393 6.6130 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2146 6.8052 10.5059 12.5732 13.5635 13.7526
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2146 6.8052 10.5059 12.5732 13.5635 13.7526
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2393 6.6130 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2799 6.3495 11.1857 11.7024 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6432 2.6459 4.3366 6.0637 11.2721 11.6413 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5839 4.4067 5.7876 10.8527 11.6090 12.3395 15.2654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4435 2.4908 4.4909 5.5468 10.4518 11.1736 12.9154 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3142 2.3586 4.5867 5.3564 10.0737 10.7374 13.5503 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1659 2.1846 4.6912 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9711 4.8008 5.1485 9.3957 9.9321 14.9043 16.7220
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1211 9.1087 9.5767 15.6038 17.0451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1291 8.8655 9.2585 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3906 1.1862 5.1093 5.1592 8.6749 8.9859 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9056 5.1813 5.1968 8.5470 8.7630 17.6229 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0938 0.6273 5.2260 5.2280 8.4901 8.6013 18.1099 18.1708
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0539 7.0080 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7383 6.8666 10.0901 11.2229 11.7234 15.3850
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9698 1.9555 6.6186 6.7900 10.2278 11.2544 11.9297 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2886 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3880 6.6264 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0114 6.2902 6.5470 10.1985 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3826 6.2105 6.4735 10.0760 12.2260 12.5979 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1544 6.4085 9.9162 12.0559 12.6275 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6678 4.0844 6.1270 6.3524 9.7184 11.6504 12.9837 13.4600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7317 4.3772 6.1352 6.3079 9.4900 11.3422 13.3368 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2605 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7368 6.2252 6.2556 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8153 4.7819 6.2490 6.2490 9.0171 10.9871 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7368 6.2252 6.2556 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2605 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7317 4.3772 6.1352 6.3079 9.4900 11.3422 13.3368 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6678 4.0844 6.1270 6.3524 9.7184 11.6504 12.9837 13.4600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1544 6.4085 9.9162 12.0559 12.6275 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3826 6.2105 6.4735 10.0760 12.2260 12.5979 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0114 6.2902 6.5470 10.1985 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3880 6.6264 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2886 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9698 1.9555 6.6186 6.7900 10.2278 11.2544 11.9297 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7383 6.8666 10.0901 11.2229 11.7234 15.3850
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0539 7.0080 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3732 0.3732 5.0893 5.0893 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4208 0.4208 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4522 0.4522 4.5740 4.5740 9.8768 9.8768 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4835 0.4835 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6499 14.6499
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5383 0.5383 4.1631 4.1631 11.3995 11.3995 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5543 0.5543 4.0970 4.0970 11.9217 11.9217 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5543 0.5543 4.0970 4.0970 11.9217 11.9217 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5383 0.5383 4.1631 4.1631 11.3995 11.3995 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6499 14.6499
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4835 0.4835 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4522 0.4522 4.5740 4.5740 9.8768 9.8768 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4208 0.4208 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3732 0.3732 5.0893 5.0893 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0938 0.6273 5.2260 5.2280 8.4901 8.6013 18.1099 18.1708
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9056 5.1813 5.1968 8.5470 8.7630 17.6229 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3906 1.1862 5.1093 5.1592 8.6749 8.9859 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1291 8.8655 9.2585 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1211 9.1087 9.5767 15.6038 17.0451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9711 4.8008 5.1485 9.3957 9.9321 14.9043 16.7220
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1659 2.1846 4.6912 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3142 2.3586 4.5867 5.3564 10.0737 10.7374 13.5503 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4435 2.4908 4.4909 5.5468 10.4518 11.1736 12.9154 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5839 4.4067 5.7876 10.8527 11.6090 12.3395 15.2654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6432 2.6459 4.3366 6.0637 11.2721 11.6413 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2799 6.3495 11.1857 11.7024 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2393 6.6130 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2146 6.8052 10.5059 12.5732 13.5635 13.7526
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2146 6.8052 10.5059 12.5732 13.5635 13.7526
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2393 6.6130 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2799 6.3495 11.1857 11.7024 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6432 2.6459 4.3366 6.0637 11.2721 11.6413 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5839 4.4067 5.7876 10.8527 11.6090 12.3395 15.2654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4435 2.4908 4.4909 5.5468 10.4518 11.1736 12.9154 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3142 2.3586 4.5867 5.3564 10.0737 10.7374 13.5503 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1659 2.1846 4.6912 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9711 4.8008 5.1485 9.3957 9.9321 14.9043 16.7220
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1211 9.1087 9.5767 15.6038 17.0451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1291 8.8655 9.2585 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3906 1.1862 5.1093 5.1592 8.6749 8.9859 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9056 5.1813 5.1968 8.5470 8.7630 17.6229 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0938 0.6273 5.2260 5.2280 8.4901 8.6013 18.1099 18.1708
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3732 0.3732 5.0893 5.0893 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4208 0.4208 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4522 0.4522 4.5740 4.5740 9.8768 9.8768 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4835 0.4835 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6499 14.6499
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5383 0.5383 4.1631 4.1631 11.3995 11.3995 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5543 0.5543 4.0970 4.0970 11.9217 11.9217 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5543 0.5543 4.0970 4.0970 11.9217 11.9217 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5383 0.5383 4.1631 4.1631 11.3995 11.3995 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6499 14.6499
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4835 0.4835 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4522 0.4522 4.5740 4.5740 9.8768 9.8768 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4208 0.4208 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3732 0.3732 5.0893 5.0893 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9290 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9190 8.2056 8.2644 8.3110 10.6178 10.6322 10.6654 11.7523
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8897 7.9203 8.1195 8.2979 10.6484 10.6999 10.7873 11.9551
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5385 7.9010 8.2749 10.6995 10.8005 10.9031 12.2804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7698 7.1108 7.6293 8.2408 10.7709 10.9232 10.9938 12.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3225 8.1936 10.8628 11.0621 11.0657 13.0803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2156 6.9943 8.1314 10.9749 11.1230 11.2144 13.4131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4439 5.7699 6.6553 8.0532 11.1069 11.1685 11.3792 13.6167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3331 6.3127 7.9568 11.1907 11.2594 11.5593 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1307 4.9107 5.9727 7.8426 11.1883 11.4320 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5015 5.6390 7.7099 11.1474 11.6205 11.9660 13.6732
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7486 4.1099 5.3175 7.5626 11.0656 11.8326 12.1942 13.6864
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5329 3.7352 5.0113 7.4047 10.9442 12.0657 12.4387 13.7451
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3026 3.3762 4.7216 7.2342 10.7862 12.3155 12.6952 13.8494
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0588 3.0372 4.4521 7.0573 10.6035 12.5856 12.9704 13.9980
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5438 2.4163 3.9876 6.6972 10.2009 13.1835 13.5665 14.4070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2758 2.1357 3.8001 6.5203 9.9964 13.5109 13.8772 14.6562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0117 1.8749 3.6483 6.3485 9.7965 13.8542 14.1636 14.9268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7546 1.6314 3.5384 6.1845 9.6039 14.2146 14.2549 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5121 1.4115 3.4788 6.0300 9.4242 13.8217 14.5931 15.2604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2930 1.2106 3.4757 5.8862 9.2547 13.1569 14.9855 15.5875
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1047 1.0319 3.5365 5.7552 9.1028 12.4654 15.3940 15.9854
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0467 0.8737 3.6631 5.6374 8.9662 11.7777 15.8145 16.4142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8534 5.5342 8.8466 11.1127 16.2478 16.8654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2407 0.6180 4.0969 5.4450 8.7419 10.4762 16.6777 17.1968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2933 0.5250 4.3794 5.3724 8.6593 9.8867 17.1103 17.5202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3255 0.4507 4.6766 5.3149 8.5933 9.3595 17.5263 17.8146
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3439 0.3980 4.9542 5.2737 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3529 0.3662 5.1616 5.2488 8.5179 8.6187 18.1816 18.2295
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3556 0.3556 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1981 5.2478 8.4957 8.5968 18.1669 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0272 0.7689 5.0817 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3056 8.5638 9.0808 17.4164 17.5210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3674 1.1878 4.7328 5.3559 8.6295 9.4435 16.9381 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5201 1.3829 4.5544 5.4196 8.7118 9.8601 16.4345 16.5463
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6602 1.5564 4.4058 5.4973 8.8125 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7879 1.6916 4.3088 5.5872 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9028 1.7748 4.2828 5.6897 9.0660 11.3345 14.9517 14.9576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7982 4.3393 5.8036 9.2155 11.8762 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0973 1.7648 4.4758 5.9275 9.3786 12.4285 13.9201 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9314 13.4832 13.5907
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9341 6.1992 9.7322 12.8130 13.1804 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3705 12.7988 14.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3474 1.3724 5.5393 6.4856 10.0787 11.9398 12.4495 14.8415
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6247 10.1998 11.5643 12.1324 15.3559
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8573 15.6322
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4364 1.1062 6.4985 6.8667 10.0964 11.2257 11.6310 15.5801
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4512 1.0517 6.7676 6.9542 9.8881 11.2512 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7113 11.2967 11.3530 15.3051
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2626 14.1861
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6321 4.3081 6.8807 10.4111 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4263 4.5630 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1743 4.8978 6.9065 10.4397 12.3205 12.3488 15.1957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2709 6.9273 10.4466 11.9549 12.1072 15.5845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6544 1.6701 5.6592 6.9511 10.4169 11.6451 11.8837 15.8284
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9739 10.3106 11.4321 11.6864 15.8103
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4083 6.9962 10.1216 11.3332 11.5285 15.6330
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5036 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3126 11.3410 15.3085
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4530 1.0136 6.9298 7.0098 9.7323 11.2946 11.3587 15.3185
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9547 11.2377 11.4925 15.4779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3156 6.8440 10.2191 11.1602 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1007 15.9014
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5763 15.9806
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0126 13.1271 15.8686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9809 1.2579 4.7697 6.0674 11.0273 11.0393 13.7362 15.4042
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0795 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6754 1.3195 4.1650 5.5417 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6062 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2421 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1286 3.7815 4.7391 11.6178 12.0296 13.4361 13.9319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1154 0.9677 3.8170 4.4932 11.8194 12.2249 13.1534 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9195 4.2691 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9195 4.2691 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1154 0.9677 3.8170 4.4932 11.8194 12.2249 13.1534 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1286 3.7815 4.7391 11.6178 12.0296 13.4361 13.9319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2421 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6062 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6754 1.3195 4.1650 5.5417 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0795 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9809 1.2579 4.7697 6.0674 11.0273 11.0393 13.7362 15.4042
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0126 13.1271 15.8686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5763 15.9806
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1007 15.9014
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3156 6.8440 10.2191 11.1602 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9547 11.2377 11.4925 15.4779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4530 1.0136 6.9298 7.0098 9.7323 11.2946 11.3587 15.3185
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0071 7.0306 7.0306 9.6422 11.3170 11.3170 15.2608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0755 9.0342
|
|
|
|
! total energy = -15.47375853 Ry
|
|
estimated scf accuracy < 2.2E-10 Ry
|
|
|
|
convergence has been achieved in 2 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
BEWARE: negative dexx: -0.130E-06
|
|
|
|
total energy = -15.47375840 Ry
|
|
Harris-Foulkes estimate = -15.47375840 Ry
|
|
est. exchange err (dexx) = 0.00000013 Ry
|
|
- averaged Fock potential = 0.90244567 Ry
|
|
+ Fock energy (ACE) = -0.45121538 Ry
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 311.0 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2611 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
ethr = 5.83E-10, avg # of iterations = 1.0
|
|
|
|
Threshold (ethr) on eigenvalues was too large:
|
|
Diagonalizing with lowered threshold
|
|
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2624 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 3.31E-12, avg # of iterations = 4.3
|
|
|
|
total cpu time spent up to now is 316.6 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9246 2.8170 5.9667 6.0755 9.6334 10.9856 11.0824 14.5544
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8391 0.2229 3.1434 4.4244 9.0341 11.8622 13.3529 13.4637
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0352 7.0352 9.6472 11.3232 11.3232 15.2704
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6142 1.2224 7.0489 7.0489 9.6685 11.3416 11.3416 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7768 1.4609 7.0714 7.0714 9.6929 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7599 7.1042 7.1042 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7715 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3680 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8805 7.2546 7.2546 9.8908 11.5448 11.5448 15.5891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3226 7.3226 9.9627 11.5767 11.5767 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9372 3.7471 7.3992 7.3992 10.0427 11.5899 11.5899 15.3637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4827 7.4827 10.1292 11.5753 11.5753 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6803 7.5749 7.5749 10.2268 11.5309 11.5309 14.6696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6733 7.6733 10.3272 11.4524 11.4524 14.2600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6483 7.7762 7.7762 10.4222 11.3427 11.3427 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1380 7.8818 7.8818 10.5149 11.2121 11.2121 13.4067
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7200 6.6239 7.9869 7.9869 10.6003 11.0698 11.0698 12.9815
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6669 10.9286 10.9286 12.5738
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5408 8.1772 8.1772 10.7011 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9281 8.2508 8.2508 10.6887 10.6982 10.6982 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2083 8.2985 8.2985 10.6310 10.6310 10.6384 11.7423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2413 8.2589 8.2589 10.5760 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8854 8.0354 8.1068 8.1068 10.4852 10.8686 10.8686 11.9513
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8291 7.7374 7.8962 7.8962 10.3470 11.1466 11.1466 12.2144
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3796 7.6556 7.6556 10.1748 11.4810 11.4810 12.4727
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9848 7.4039 7.4039 9.9822 11.8524 11.8524 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5266 6.5659 7.1526 7.1526 9.7775 12.2494 12.2494 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3813 6.1330 6.9077 6.9077 9.5742 12.2182 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2151 5.6861 6.6735 6.6735 9.3764 11.8198 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0254 5.2363 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5843 4.3246 6.0613 6.0613 8.8617 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8921 5.8921 8.7262 10.2278 14.8749 14.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0588 3.4055 5.7407 5.7407 8.6116 9.8940 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7652 2.9509 5.6092 5.6092 8.5211 9.5961 15.7982 15.7982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4548 2.5001 5.4977 5.4977 8.4546 9.3307 16.2687 16.2687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0536 5.4056 5.4056 8.4081 9.0991 16.7376 16.7376
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7805 1.6146 5.3337 5.3337 8.3920 8.9022 17.2071 17.2071
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1824 5.2818 5.2818 8.3997 8.7393 17.6632 17.6632
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0383 0.7629 5.2508 5.2508 8.4393 8.6081 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1616 5.2488 8.5179 8.6187 18.1815 18.2295
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3980 4.9542 5.2737 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3255 0.4507 4.6766 5.3149 8.5932 9.3595 17.5263 17.8146
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3794 5.3723 8.6593 9.8866 17.1103 17.5202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2407 0.6180 4.0969 5.4450 8.7418 10.4762 16.6776 17.1968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8534 5.5341 8.8465 11.1126 16.2478 16.8654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0467 0.8736 3.6631 5.6373 8.9662 11.7777 15.8145 16.4142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1047 1.0319 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2106 3.4757 5.8862 9.2546 13.1569 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4115 3.4788 6.0300 9.4242 13.8216 14.5931 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7546 1.6314 3.5384 6.1845 9.6038 14.2146 14.2548 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3485 9.7965 13.8542 14.1636 14.9268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2758 2.1357 3.8001 6.5203 9.9963 13.5109 13.8771 14.6562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9876 6.6972 10.2009 13.1835 13.5664 14.4070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0372 4.4520 7.0573 10.6035 12.5856 12.9704 13.9980
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2342 10.7862 12.3154 12.6952 13.8494
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4047 10.9442 12.0657 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1099 5.3175 7.5625 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5015 5.6390 7.7099 11.1474 11.6204 11.9659 13.6732
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9107 5.9727 7.8426 11.1882 11.4320 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9568 11.1906 11.2593 11.5593 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4439 5.7698 6.6553 8.0532 11.1069 11.1685 11.3791 13.6167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2156 6.9942 8.1314 10.9749 11.1229 11.2144 13.4131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3225 8.1935 10.8627 11.0621 11.0657 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7698 7.1108 7.6293 8.2407 10.7709 10.9232 10.9938 12.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5384 7.9009 8.2749 10.6995 10.8004 10.9031 12.2804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8897 7.9202 8.1195 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9190 8.2056 8.2644 8.3110 10.6178 10.6321 10.6654 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0098 9.7323 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3155 6.8439 10.2190 11.1601 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0125 13.1271 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0794 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1650 5.5416 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2420 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1285 3.7815 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9194 4.2690 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9194 4.2690 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1285 3.7815 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2420 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1650 5.5416 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0794 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0125 13.1271 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3155 6.8439 10.2190 11.1601 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0098 9.7323 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2083 8.2985 8.2985 10.6310 10.6310 10.6384 11.7423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9281 8.2508 8.2508 10.6887 10.6982 10.6982 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5408 8.1772 8.1772 10.7011 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6669 10.9286 10.9286 12.5738
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7200 6.6239 7.9869 7.9869 10.6003 11.0698 11.0698 12.9815
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1380 7.8818 7.8818 10.5149 11.2121 11.2121 13.4067
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6483 7.7762 7.7762 10.4222 11.3427 11.3427 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6733 7.6733 10.3272 11.4524 11.4524 14.2600
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6803 7.5749 7.5749 10.2268 11.5309 11.5309 14.6696
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4827 7.4827 10.1292 11.5753 11.5753 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9372 3.7471 7.3992 7.3992 10.0427 11.5899 11.5899 15.3637
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3226 7.3226 9.9627 11.5767 11.5767 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8805 7.2546 7.2546 9.8908 11.5448 11.5448 15.5891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3680 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7715 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7599 7.1042 7.1042 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7768 1.4609 7.0714 7.0714 9.6929 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6142 1.2224 7.0489 7.0489 9.6685 11.3416 11.3416 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0352 7.0352 9.6472 11.3232 11.3232 15.2704
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7234 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9555 6.6186 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3879 6.6263 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0113 6.2901 6.5469 10.1984 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3825 6.2105 6.4735 10.0759 12.2260 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1543 6.4085 9.9162 12.0559 12.6274 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6504 12.9837 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3772 6.1351 6.3078 9.4900 11.3422 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2604 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2604 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3772 6.1351 6.3078 9.4900 11.3422 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6504 12.9837 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1543 6.4085 9.9162 12.0559 12.6274 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3825 6.2105 6.4735 10.0759 12.2260 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0113 6.2901 6.5469 10.1984 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3879 6.6263 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9555 6.6186 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7234 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0383 0.7629 5.2508 5.2508 8.4393 8.6081 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1824 5.2818 5.2818 8.3997 8.7393 17.6632 17.6632
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7805 1.6146 5.3337 5.3337 8.3920 8.9022 17.2071 17.2071
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0536 5.4056 5.4056 8.4081 9.0991 16.7376 16.7376
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4548 2.5001 5.4977 5.4977 8.4546 9.3307 16.2687 16.2687
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7652 2.9509 5.6092 5.6092 8.5211 9.5961 15.7982 15.7982
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0588 3.4055 5.7407 5.7407 8.6116 9.8940 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8921 5.8921 8.7262 10.2278 14.8749 14.8749
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5843 4.3246 6.0613 6.0613 8.8617 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0254 5.2363 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2151 5.6861 6.6735 6.6735 9.3764 11.8198 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3813 6.1330 6.9077 6.9077 9.5742 12.2182 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5266 6.5659 7.1526 7.1526 9.7775 12.2494 12.2494 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9848 7.4039 7.4039 9.9822 11.8524 11.8524 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3796 7.6556 7.6556 10.1748 11.4810 11.4810 12.4727
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8291 7.7374 7.8962 7.8962 10.3470 11.1466 11.1466 12.2144
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8854 8.0354 8.1068 8.1068 10.4852 10.8686 10.8686 11.9513
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2413 8.2589 8.2589 10.5760 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4901 8.6012 18.1099 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9055 5.1813 5.1968 8.5469 8.7630 17.6228 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1093 5.1592 8.6749 8.9858 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4909 5.5467 10.4517 11.1736 12.9153 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5838 4.4067 5.7875 10.8527 11.6089 12.3395 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6459 4.3365 6.0636 11.2721 11.6412 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2798 6.3495 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2392 6.6129 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2145 6.8052 10.5059 12.5732 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2145 6.8052 10.5059 12.5732 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2392 6.6129 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2798 6.3495 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6459 4.3365 6.0636 11.2721 11.6412 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5838 4.4067 5.7875 10.8527 11.6089 12.3395 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4909 5.5467 10.4517 11.1736 12.9153 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1093 5.1592 8.6749 8.9858 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9055 5.1813 5.1968 8.5469 8.7630 17.6228 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4901 8.6012 18.1099 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7234 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9555 6.6186 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3879 6.6263 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0113 6.2901 6.5469 10.1984 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3825 6.2105 6.4735 10.0759 12.2260 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1543 6.4085 9.9162 12.0559 12.6274 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6504 12.9837 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3772 6.1351 6.3078 9.4900 11.3422 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2604 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0843 11.0234 13.8812 13.9329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7783 4.6007 6.1745 6.2753 9.2604 11.1375 13.6516 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3772 6.1351 6.3078 9.4900 11.3422 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6504 12.9837 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5865 3.7461 6.1543 6.4085 9.9162 12.0559 12.6274 13.2211
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4888 3.3825 6.2105 6.4735 10.0759 12.2260 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3760 3.0113 6.2901 6.5469 10.1984 11.9024 12.6869 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2490 2.6426 6.3879 6.6263 10.2757 11.6060 12.4188 13.7605
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4990 6.7085 10.2939 11.3802 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9555 6.6186 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7234 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6892 1.3927 6.8502 6.9336 9.9273 11.2421 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5713 1.1879 6.9444 6.9854 9.7826 11.2771 11.4231 15.3591
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0970 4.0970 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0970 4.0970 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4901 8.6012 18.1099 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9055 5.1813 5.1968 8.5469 8.7630 17.6228 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1093 5.1592 8.6749 8.9858 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4909 5.5467 10.4517 11.1736 12.9153 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5838 4.4067 5.7875 10.8527 11.6089 12.3395 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6459 4.3365 6.0636 11.2721 11.6412 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2798 6.3495 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2392 6.6129 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2145 6.8052 10.5059 12.5732 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7139 4.2145 6.8052 10.5059 12.5732 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7649 2.7035 4.2392 6.6129 10.7833 12.1394 13.2180 13.9957
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7144 2.6828 4.2798 6.3495 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6459 4.3365 6.0636 11.2721 11.6412 12.2367 14.8590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5539 2.5838 4.4067 5.7875 10.8527 11.6089 12.3395 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4909 5.5467 10.4517 11.1736 12.9153 15.6580
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7197 10.3209 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9990 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9115 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6100 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1093 5.1592 8.6749 8.9858 16.9896 17.6497
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1556 0.9055 5.1813 5.1968 8.5469 8.7630 17.6228 17.9298
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4901 8.6012 18.1099 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0970 4.0970 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0970 4.0970 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5135 0.5135 4.2690 4.2690 10.8661 10.8661 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3538 10.3538 15.3100 15.3100
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9803 15.9803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7533 4.7533 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8304 17.8304
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2001 5.2001 8.5765 8.5765 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3153 8.3153 8.3153 10.6076 10.6076 10.6076 11.6859
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9190 8.2056 8.2644 8.3110 10.6178 10.6321 10.6654 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8897 7.9202 8.1195 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5384 7.9009 8.2749 10.6995 10.8004 10.9031 12.2804
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7698 7.1108 7.6293 8.2407 10.7709 10.9232 10.9938 12.6779
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3225 8.1935 10.8627 11.0621 11.0657 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2156 6.9942 8.1314 10.9749 11.1229 11.2144 13.4131
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4439 5.7698 6.6553 8.0532 11.1069 11.1685 11.3791 13.6167
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9568 11.1906 11.2593 11.5593 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9107 5.9727 7.8426 11.1882 11.4320 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5015 5.6390 7.7099 11.1474 11.6204 11.9659 13.6732
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1099 5.3175 7.5625 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4047 10.9442 12.0657 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2342 10.7862 12.3154 12.6952 13.8494
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0372 4.4520 7.0573 10.6035 12.5856 12.9704 13.9980
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9876 6.6972 10.2009 13.1835 13.5664 14.4070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2758 2.1357 3.8001 6.5203 9.9963 13.5109 13.8771 14.6562
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3485 9.7965 13.8542 14.1636 14.9268
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7546 1.6314 3.5384 6.1845 9.6038 14.2146 14.2548 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4115 3.4788 6.0300 9.4242 13.8216 14.5931 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2106 3.4757 5.8862 9.2546 13.1569 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1047 1.0319 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0467 0.8736 3.6631 5.6373 8.9662 11.7777 15.8145 16.4142
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8534 5.5341 8.8465 11.1126 16.2478 16.8654
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2407 0.6180 4.0969 5.4450 8.7418 10.4762 16.6776 17.1968
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3794 5.3723 8.6593 9.8866 17.1103 17.5202
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3255 0.4507 4.6766 5.3149 8.5932 9.3595 17.5263 17.8146
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3980 4.9542 5.2737 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1616 5.2488 8.5179 8.6187 18.1815 18.2295
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1594 0.5595 5.1980 5.2478 8.4957 8.5968 18.1668 18.1921
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2695 8.5187 8.7906 17.8471 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2031 0.9800 4.9170 5.3055 8.5638 9.0807 17.4164 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1878 4.7328 5.3559 8.6295 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4196 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5564 4.4058 5.4972 8.8124 10.3191 15.9370 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6916 4.3087 5.5871 8.9316 10.8136 15.4387 15.4900
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7748 4.2828 5.6897 9.0659 11.3344 14.9517 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4311 14.4793
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4758 5.9274 9.3786 12.4285 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1757 1.6901 4.6796 6.0601 9.5521 12.9313 13.4832 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2429 1.5920 4.9340 6.1992 9.7321 12.8129 13.1803 13.6990
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4821 5.2247 6.3422 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4495 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2693 5.8639 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4153 1.1792 6.1890 6.7540 10.2217 11.3103 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1062 6.4985 6.8667 10.0963 11.2257 11.6310 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0517 6.7675 6.9541 9.8880 11.2511 11.4587 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4601 1.0183 6.9592 7.0110 9.7112 11.2967 11.3530 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7173 4.2063 6.8772 10.4058 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7985 2.6320 4.3080 6.8807 10.4110 12.7911 13.0733 14.3838
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7786 2.4262 4.5629 6.8907 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7479 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7053 1.9153 5.2708 6.9273 10.4466 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6701 5.6591 6.9511 10.4168 11.6451 11.8837 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4496 6.0444 6.9738 10.3106 11.4321 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2653 6.4082 6.9962 10.1216 11.3332 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7231 7.0146 9.8977 11.3097 11.4123 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0372 6.9471 7.0265 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0098 9.7323 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3155 6.8439 10.2190 11.1601 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0125 13.1271 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0794 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1650 5.5416 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2420 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1285 3.7815 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9194 4.2690 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5579 0.5579 4.0739 4.0739 12.2313 12.2313 13.0870 13.0870
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3371 0.7738 3.9194 4.2690 12.0344 12.3277 13.0028 13.3250
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0992 1.1285 3.7815 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3051 1.2420 3.8262 4.9995 11.4380 11.8142 13.7714 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4972 1.3046 3.9556 5.2693 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1650 5.5416 11.1651 11.4075 14.5392 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8367 1.2994 4.4417 5.8100 11.0794 11.2197 14.3835 14.9612
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2064 5.1357 6.3062 10.8620 11.0125 13.1271 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2150 1.1542 5.5255 6.5195 10.6761 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3058 1.1046 5.9244 6.7001 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0640 6.3155 6.8439 10.2190 11.1601 11.7358 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6681 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0098 9.7323 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4630 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0755 9.0341
|
|
|
|
! total energy = -15.47375840 Ry
|
|
estimated scf accuracy < 2.5E-10 Ry
|
|
|
|
convergence has been achieved in 1 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
BEWARE: negative dexx: -0.888E-07
|
|
|
|
total energy = -15.47375831 Ry
|
|
Harris-Foulkes estimate = -15.47375831 Ry
|
|
est. exchange err (dexx) = 0.00000009 Ry
|
|
- averaged Fock potential = 0.90242956 Ry
|
|
+ Fock energy (ACE) = -0.45121410 Ry
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 380.4 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2586 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 3.31E-12, avg # of iterations = 2.2
|
|
|
|
Threshold (ethr) on eigenvalues was too large:
|
|
Diagonalizing with lowered threshold
|
|
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2595 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 1.71E-13, avg # of iterations = 3.6
|
|
|
|
total cpu time spent up to now is 386.6 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9246 2.8170 5.9667 6.0755 9.6334 10.9855 11.0823 14.5543
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8392 0.2229 3.1434 4.4244 9.0341 11.8622 13.3529 13.4637
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.5034 1.0633 7.0351 7.0351 9.6472 11.3232 11.3232 15.2703
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6143 1.2224 7.0488 7.0488 9.6685 11.3415 11.3415 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7769 1.4609 7.0714 7.0714 9.6928 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7598 7.1041 7.1041 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7714 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3681 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8804 7.2545 7.2545 9.8907 11.5448 11.5448 15.5890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7574 3.3046 7.3226 7.3226 9.9626 11.5766 11.5766 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9373 3.7470 7.3992 7.3992 10.0427 11.5899 11.5899 15.3636
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1037 4.2071 7.4827 7.4827 10.1292 11.5752 11.5752 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6802 7.5748 7.5748 10.2268 11.5309 11.5309 14.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6732 7.6732 10.3272 11.4523 11.4523 14.2599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6482 7.7761 7.7761 10.4222 11.3427 11.3427 13.8358
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1379 7.8817 7.8817 10.5149 11.2121 11.2121 13.4066
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7201 6.6239 7.9868 7.9868 10.6002 11.0698 11.0698 12.9814
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6668 10.9286 10.9286 12.5737
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8546 7.5408 8.1771 8.1771 10.7010 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8957 7.9281 8.2508 8.2508 10.6886 10.6981 10.6981 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2082 8.2985 8.2985 10.6309 10.6309 10.6384 11.7422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2412 8.2589 8.2589 10.5759 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8855 8.0353 8.1067 8.1067 10.4852 10.8686 10.8686 11.9512
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8292 7.7374 7.8961 7.8961 10.3469 11.1466 11.1466 12.2143
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3795 7.6555 7.6555 10.1748 11.4810 11.4810 12.4726
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9847 7.4039 7.4039 9.9821 11.8524 11.8524 12.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5267 6.5658 7.1526 7.1526 9.7775 12.2493 12.2493 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3814 6.1329 6.9077 6.9077 9.5742 12.2181 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2152 5.6861 6.6735 6.6735 9.3763 11.8198 13.0845 13.0845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0255 5.2362 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7817 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5844 4.3245 6.0613 6.0613 8.8616 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8920 5.8920 8.7262 10.2278 14.8748 14.8748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0589 3.4054 5.7406 5.7406 8.6116 9.8940 15.3305 15.3305
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7653 2.9509 5.6091 5.6091 8.5210 9.5961 15.7981 15.7981
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4549 2.5000 5.4977 5.4977 8.4546 9.3307 16.2686 16.2686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1271 2.0536 5.4055 5.4055 8.4081 9.0990 16.7375 16.7375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7806 1.6145 5.3336 5.3336 8.3919 8.9021 17.2070 17.2070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1823 5.2818 5.2818 8.3996 8.7393 17.6631 17.6631
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0384 0.7628 5.2508 5.2508 8.4392 8.6080 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1615 5.2488 8.5179 8.6187 18.1815 18.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3979 4.9542 5.2736 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3254 0.4506 4.6766 5.3148 8.5932 9.3594 17.5263 17.8145
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3793 5.3723 8.6593 9.8866 17.1103 17.5201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2406 0.6179 4.0969 5.4449 8.7418 10.4762 16.6776 17.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7363 3.8533 5.5341 8.8465 11.1126 16.2478 16.8653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0466 0.8736 3.6630 5.6373 8.9662 11.7776 15.8144 16.4141
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1048 1.0318 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2105 3.4756 5.8861 9.2546 13.1568 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4114 3.4788 6.0300 9.4242 13.8216 14.5930 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7547 1.6313 3.5383 6.1844 9.6038 14.2145 14.2548 15.1890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3484 9.7965 13.8541 14.1635 14.9267
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2759 2.1356 3.8001 6.5202 9.9963 13.5109 13.8771 14.6561
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9875 6.6971 10.2009 13.1835 13.5664 14.4069
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0371 4.4520 7.0572 10.6035 12.5856 12.9703 13.9979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2341 10.7862 12.3154 12.6951 13.8493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4046 10.9442 12.0656 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1098 5.3175 7.5624 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5014 5.6389 7.7098 11.1474 11.6204 11.9659 13.6731
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9106 5.9727 7.8425 11.1882 11.4319 11.7567 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9567 11.1906 11.2593 11.5593 13.6879
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4440 5.7698 6.6552 8.0531 11.1068 11.1684 11.3791 13.6166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2155 6.9942 8.1313 10.9748 11.1229 11.2143 13.4130
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6650 7.3224 8.1934 10.8627 11.0620 11.0656 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7699 7.1107 7.6292 8.2406 10.7709 10.9231 10.9938 12.6778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8398 7.5384 7.9009 8.2748 10.6994 10.8004 10.9031 12.2803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8898 7.9202 8.1194 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9191 8.2055 8.2643 8.3109 10.6177 10.6321 10.6653 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9297 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4232 1.0329 6.6680 6.9476 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3741 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1356 6.3061 10.8619 11.0125 13.1270 15.8678
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8099 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4379 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4379 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8099 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1356 6.3061 10.8619 11.0125 13.1270 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3741 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4232 1.0329 6.6680 6.9476 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9297 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2082 8.2985 8.2985 10.6309 10.6309 10.6384 11.7422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8957 7.9281 8.2508 8.2508 10.6886 10.6981 10.6981 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8546 7.5408 8.1771 8.1771 10.7010 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6668 10.9286 10.9286 12.5737
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7201 6.6239 7.9868 7.9868 10.6002 11.0698 11.0698 12.9814
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1379 7.8817 7.8817 10.5149 11.2121 11.2121 13.4066
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6482 7.7761 7.7761 10.4222 11.3427 11.3427 13.8358
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6732 7.6732 10.3272 11.4523 11.4523 14.2599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6802 7.5748 7.5748 10.2268 11.5309 11.5309 14.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1037 4.2071 7.4827 7.4827 10.1292 11.5752 11.5752 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9373 3.7470 7.3992 7.3992 10.0427 11.5899 11.5899 15.3636
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7574 3.3046 7.3226 7.3226 9.9626 11.5766 11.5766 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8804 7.2545 7.2545 9.8907 11.5448 11.5448 15.5890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3681 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7714 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7598 7.1041 7.1041 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7769 1.4609 7.0714 7.0714 9.6928 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6143 1.2224 7.0488 7.0488 9.6685 11.3415 11.3415 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.5034 1.0633 7.0351 7.0351 9.6472 11.3232 11.3232 15.2703
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0189 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9443 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8258 1.6535 6.7382 6.8665 10.0900 11.2228 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1123 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2104 6.4734 10.0759 12.2259 12.5978 12.9573
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6006 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8062 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7817 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8062 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6006 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2104 6.4734 10.0759 12.2259 12.5978 12.9573
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1123 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8258 1.6535 6.7382 6.8665 10.0900 11.2228 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9443 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0189 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0384 0.7628 5.2508 5.2508 8.4392 8.6080 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1823 5.2818 5.2818 8.3996 8.7393 17.6631 17.6631
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7806 1.6145 5.3336 5.3336 8.3919 8.9021 17.2070 17.2070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1271 2.0536 5.4055 5.4055 8.4081 9.0990 16.7375 16.7375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4549 2.5000 5.4977 5.4977 8.4546 9.3307 16.2686 16.2686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7653 2.9509 5.6091 5.6091 8.5210 9.5961 15.7981 15.7981
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0589 3.4054 5.7406 5.7406 8.6116 9.8940 15.3305 15.3305
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8920 5.8920 8.7262 10.2278 14.8748 14.8748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5844 4.3245 6.0613 6.0613 8.8616 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7817 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0255 5.2362 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2152 5.6861 6.6735 6.6735 9.3763 11.8198 13.0845 13.0845
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3814 6.1329 6.9077 6.9077 9.5742 12.2181 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5267 6.5658 7.1526 7.1526 9.7775 12.2493 12.2493 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9847 7.4039 7.4039 9.9821 11.8524 11.8524 12.6124
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3795 7.6555 7.6555 10.1748 11.4810 11.4810 12.4726
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8292 7.7374 7.8961 7.8961 10.3469 11.1466 11.1466 12.2143
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8855 8.0353 8.1067 8.1067 10.4852 10.8686 10.8686 11.9512
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2412 8.2589 8.2589 10.5759 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4629 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7282 4.9114 5.1210 9.1087 9.5766 15.6037 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4066 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2366 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6827 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6827 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2366 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4066 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7282 4.9114 5.1210 9.1087 9.5766 15.6037 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4629 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0189 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9443 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8258 1.6535 6.7382 6.8665 10.0900 11.2228 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1123 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2104 6.4734 10.0759 12.2259 12.5978 12.9573
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6006 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8062 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7817 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8062 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6006 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2104 6.4734 10.0759 12.2259 12.5978 12.9573
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1123 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8258 1.6535 6.7382 6.8665 10.0900 11.2228 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9443 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0189 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3599 0.3599 5.2000 5.2000 8.5764 8.5764 18.1843 18.1843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3936 0.3936 4.9317 4.9317 9.0667 9.0667 17.2755 17.2755
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6422 16.6422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6422 16.6422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3936 0.3936 4.9317 4.9317 9.0667 9.0667 17.2755 17.2755
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3599 0.3599 5.2000 5.2000 8.5764 8.5764 18.1843 18.1843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4629 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7282 4.9114 5.1210 9.1087 9.5766 15.6037 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4066 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2366 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6827 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6827 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2366 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4066 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3855
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7282 4.9114 5.1210 9.1087 9.5766 15.6037 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4629 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3599 0.3599 5.2000 5.2000 8.5764 8.5764 18.1843 18.1843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3936 0.3936 4.9317 4.9317 9.0667 9.0667 17.2755 17.2755
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6422 16.6422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6422 16.6422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3936 0.3936 4.9317 4.9317 9.0667 9.0667 17.2755 17.2755
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3599 0.3599 5.2000 5.2000 8.5764 8.5764 18.1843 18.1843
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9191 8.2055 8.2643 8.3109 10.6177 10.6321 10.6653 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8898 7.9202 8.1194 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8398 7.5384 7.9009 8.2748 10.6994 10.8004 10.9031 12.2803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7699 7.1107 7.6292 8.2406 10.7709 10.9231 10.9938 12.6778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6650 7.3224 8.1934 10.8627 11.0620 11.0656 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2155 6.9942 8.1313 10.9748 11.1229 11.2143 13.4130
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4440 5.7698 6.6552 8.0531 11.1068 11.1684 11.3791 13.6166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9567 11.1906 11.2593 11.5593 13.6879
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9106 5.9727 7.8425 11.1882 11.4319 11.7567 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5014 5.6389 7.7098 11.1474 11.6204 11.9659 13.6731
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1098 5.3175 7.5624 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4046 10.9442 12.0656 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2341 10.7862 12.3154 12.6951 13.8493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0371 4.4520 7.0572 10.6035 12.5856 12.9703 13.9979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9875 6.6971 10.2009 13.1835 13.5664 14.4069
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2759 2.1356 3.8001 6.5202 9.9963 13.5109 13.8771 14.6561
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3484 9.7965 13.8541 14.1635 14.9267
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7547 1.6313 3.5383 6.1844 9.6038 14.2145 14.2548 15.1890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4114 3.4788 6.0300 9.4242 13.8216 14.5930 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2105 3.4756 5.8861 9.2546 13.1568 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1048 1.0318 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0466 0.8736 3.6630 5.6373 8.9662 11.7776 15.8144 16.4141
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7363 3.8533 5.5341 8.8465 11.1126 16.2478 16.8653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2406 0.6179 4.0969 5.4449 8.7418 10.4762 16.6776 17.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3793 5.3723 8.6593 9.8866 17.1103 17.5201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3254 0.4506 4.6766 5.3148 8.5932 9.3594 17.5263 17.8145
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3979 4.9542 5.2736 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1615 5.2488 8.5179 8.6187 18.1815 18.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2903 18.2903
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5594 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9799 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0533
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0228
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4386 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0055 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3785 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1991 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2246 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3854 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1889 6.7539 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9591 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7084 14.7712
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6020 1.4495 6.0443 6.9738 10.3106 11.4320 11.6863 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5494 1.2652 6.4082 6.9961 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8976 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4738 1.0371 6.9470 7.0264 9.7126 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9297 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4232 1.0329 6.6680 6.9476 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3741 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1356 6.3061 10.8619 11.0125 13.1270 15.8685
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8099 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4379 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4379 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8099 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1356 6.3061 10.8619 11.0125 13.1270 15.8681
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3741 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4232 1.0329 6.6680 6.9476 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9297 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0305 7.0305 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0755 9.0341
|
|
|
|
! total energy = -15.47375831 Ry
|
|
estimated scf accuracy < 1.5E-11 Ry
|
|
|
|
convergence has been achieved in 1 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
BEWARE: negative dexx: -0.397E-07
|
|
|
|
total energy = -15.47375827 Ry
|
|
Harris-Foulkes estimate = -15.47375827 Ry
|
|
est. exchange err (dexx) = 0.00000004 Ry
|
|
- averaged Fock potential = 0.90242863 Ry
|
|
+ Fock energy (ACE) = -0.45121449 Ry
|
|
|
|
EXX: now go back to refine exchange calculation
|
|
|
|
total cpu time spent up to now is 451.1 secs
|
|
|
|
Self-consistent Calculation
|
|
|
|
iteration # 1 ecut= 18.00 Ry beta= 0.70
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2558 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 1.71E-13, avg # of iterations = 2.4
|
|
|
|
Threshold (ethr) on eigenvalues was too large:
|
|
Diagonalizing with lowered threshold
|
|
|
|
Davidson diagonalization with overlap
|
|
|
|
---- Real-time Memory Report at c_bands before calling an iterative solver
|
|
776 MiB given to the printing process from OS
|
|
0 MiB allocation reported by mallinfo(arena+hblkhd)
|
|
2549 MiB available memory on the node where the printing process lives
|
|
------------------
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
c_bands: 1 eigenvalues not converged
|
|
ethr = 1.61E-14, avg # of iterations = 2.6
|
|
|
|
total cpu time spent up to now is 457.0 secs
|
|
|
|
End of self-consistent calculation
|
|
|
|
k =-0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-4.9246 2.8170 5.9667 6.0755 9.6334 10.9855 11.0823 14.5543
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-2.8392 0.2229 3.1434 4.4244 9.0341 11.8622 13.3529 13.4637
|
|
|
|
occupation numbers
|
|
1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0351 7.0351 9.6472 11.3232 11.3232 15.2703
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 0.4500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6143 1.2224 7.0488 7.0488 9.6685 11.3415 11.3415 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 0.4250 ( 347 PWs) bands (ev):
|
|
|
|
-1.7769 1.4609 7.0714 7.0714 9.6928 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7599 7.1041 7.1041 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 0.3750 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7714 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 0.3500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3681 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 0.3250 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8805 7.2545 7.2545 9.8907 11.5448 11.5448 15.5890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.3000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3226 7.3226 9.9626 11.5766 11.5766 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 0.2750 ( 344 PWs) bands (ev):
|
|
|
|
-2.9373 3.7470 7.3992 7.3992 10.0427 11.5899 11.5899 15.3636
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 0.2500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4827 7.4827 10.1292 11.5752 11.5752 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 0.2250 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6802 7.5749 7.5749 10.2268 11.5309 11.5309 14.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.2000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6732 7.6732 10.3272 11.4523 11.4523 14.2599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 0.1750 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6482 7.7761 7.7761 10.4222 11.3427 11.3427 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 0.1500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1379 7.8817 7.8817 10.5149 11.2121 11.2121 13.4066
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 0.1250 ( 335 PWs) bands (ev):
|
|
|
|
-3.7201 6.6239 7.9868 7.9868 10.6002 11.0698 11.0698 12.9814
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.1000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6669 10.9286 10.9286 12.5737
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 0.0750 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5408 8.1771 8.1771 10.7011 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 0.0500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9281 8.2508 8.2508 10.6886 10.6981 10.6981 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 0.0250 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2082 8.2985 8.2985 10.6309 10.6309 10.6384 11.7422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2413 8.2589 8.2589 10.5759 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8855 8.0353 8.1067 8.1067 10.4852 10.8686 10.8686 11.9512
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8292 7.7374 7.8961 7.8961 10.3469 11.1466 11.1466 12.2143
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3796 7.6555 7.6555 10.1748 11.4810 11.4810 12.4726
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9847 7.4039 7.4039 9.9821 11.8524 11.8524 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5267 6.5659 7.1526 7.1526 9.7775 12.2493 12.2493 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3814 6.1329 6.9077 6.9077 9.5742 12.2181 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2152 5.6861 6.6735 6.6735 9.3763 11.8198 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0255 5.2362 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5844 4.3245 6.0613 6.0613 8.8616 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8920 5.8920 8.7262 10.2278 14.8748 14.8748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0589 3.4054 5.7406 5.7406 8.6116 9.8940 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7653 2.9509 5.6091 5.6091 8.5211 9.5961 15.7981 15.7981
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4549 2.5000 5.4977 5.4977 8.4546 9.3307 16.2686 16.2686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0536 5.4055 5.4055 8.4081 9.0990 16.7375 16.7375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7806 1.6146 5.3336 5.3336 8.3919 8.9021 17.2070 17.2070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1823 5.2818 5.2818 8.3996 8.7393 17.6631 17.6631
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0384 0.7628 5.2508 5.2508 8.4392 8.6080 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1615 5.2488 8.5179 8.6187 18.1815 18.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3979 4.9542 5.2736 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3254 0.4506 4.6766 5.3148 8.5932 9.3594 17.5263 17.8145
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3793 5.3723 8.6593 9.8866 17.1103 17.5201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2406 0.6179 4.0969 5.4449 8.7418 10.4762 16.6776 17.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8533 5.5341 8.8465 11.1126 16.2478 16.8653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0466 0.8736 3.6631 5.6373 8.9662 11.7776 15.8144 16.4141
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1048 1.0318 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2105 3.4757 5.8862 9.2546 13.1568 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4115 3.4788 6.0300 9.4242 13.8216 14.5931 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7547 1.6313 3.5383 6.1844 9.6038 14.2145 14.2548 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3484 9.7965 13.8541 14.1635 14.9267
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2759 2.1356 3.8001 6.5202 9.9963 13.5109 13.8771 14.6561
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9875 6.6972 10.2009 13.1835 13.5664 14.4069
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0371 4.4520 7.0572 10.6035 12.5856 12.9703 13.9979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2341 10.7862 12.3154 12.6951 13.8493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4046 10.9442 12.0656 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1098 5.3175 7.5625 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5014 5.6389 7.7098 11.1474 11.6204 11.9659 13.6731
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9106 5.9727 7.8425 11.1882 11.4319 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9567 11.1906 11.2593 11.5593 13.6879
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4440 5.7698 6.6552 8.0532 11.1068 11.1684 11.3791 13.6166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2155 6.9942 8.1313 10.9748 11.1229 11.2144 13.4130
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3224 8.1935 10.8627 11.0620 11.0656 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7699 7.1108 7.6292 8.2407 10.7709 10.9231 10.9938 12.6778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5384 7.9009 8.2748 10.6994 10.8004 10.9031 12.2803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8898 7.9202 8.1194 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9191 8.2055 8.2643 8.3109 10.6177 10.6321 10.6653 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750-0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500-0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250-0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750-0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500-0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250-0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750-0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500-0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250-0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750-0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500-0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250-0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750-0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500-0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250-0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000-0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500-0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000-0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500-0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000-0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6680 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1357 6.3061 10.8619 11.0125 13.1270 15.8678
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8100 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4380 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000-0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4380 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8100 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000-0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1357 6.3061 10.8619 11.0125 13.1270 15.8678
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333-0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667-0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6680 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000-0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9750 0.9750 0.9750 ( 332 PWs) bands (ev):
|
|
|
|
-3.9210 8.2082 8.2985 8.2985 10.6309 10.6309 10.6384 11.7422
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9500 0.9500 0.9500 ( 332 PWs) bands (ev):
|
|
|
|
-3.8956 7.9281 8.2508 8.2508 10.6886 10.6981 10.6981 11.9183
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9250 0.9250 0.9250 ( 335 PWs) bands (ev):
|
|
|
|
-3.8545 7.5408 8.1771 8.1771 10.7011 10.8006 10.8006 12.2072
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.9000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7956 7.0968 8.0872 8.0872 10.6669 10.9286 10.9286 12.5737
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8750 0.8750 0.8750 ( 335 PWs) bands (ev):
|
|
|
|
-3.7201 6.6239 7.9868 7.9868 10.6002 11.0698 11.0698 12.9814
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8500 0.8500 0.8500 ( 335 PWs) bands (ev):
|
|
|
|
-3.6281 6.1379 7.8817 7.8817 10.5149 11.2121 11.2121 13.4066
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8250 0.8250 0.8250 ( 335 PWs) bands (ev):
|
|
|
|
-3.5203 5.6482 7.7761 7.7761 10.4222 11.3427 11.3427 13.8359
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.8000 ( 332 PWs) bands (ev):
|
|
|
|
-3.3957 5.1614 7.6732 7.6732 10.3272 11.4523 11.4523 14.2599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7750 0.7750 0.7750 ( 338 PWs) bands (ev):
|
|
|
|
-3.2574 4.6802 7.5749 7.5749 10.2268 11.5309 11.5309 14.6695
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7500 0.7500 0.7500 ( 344 PWs) bands (ev):
|
|
|
|
-3.1036 4.2072 7.4827 7.4827 10.1292 11.5752 11.5752 15.0487
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7250 0.7250 0.7250 ( 344 PWs) bands (ev):
|
|
|
|
-2.9373 3.7470 7.3992 7.3992 10.0427 11.5899 11.5899 15.3636
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.7000 ( 344 PWs) bands (ev):
|
|
|
|
-2.7573 3.3046 7.3226 7.3226 9.9626 11.5766 11.5766 15.5493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6750 0.6750 0.6750 ( 344 PWs) bands (ev):
|
|
|
|
-2.5667 2.8805 7.2545 7.2545 9.8907 11.5448 11.5448 15.5890
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6500 0.6500 0.6500 ( 344 PWs) bands (ev):
|
|
|
|
-2.3681 2.4782 7.1953 7.1953 9.8277 11.5023 11.5023 15.5467
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6250 0.6250 0.6250 ( 350 PWs) bands (ev):
|
|
|
|
-2.1661 2.1023 7.1451 7.1451 9.7714 11.4559 11.4559 15.4757
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.9643 1.7599 7.1041 7.1041 9.7274 11.4120 11.4120 15.4050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5750 0.5750 0.5750 ( 347 PWs) bands (ev):
|
|
|
|
-1.7769 1.4609 7.0714 7.0714 9.6928 11.3708 11.3708 15.3438
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5500 0.5500 0.5500 ( 341 PWs) bands (ev):
|
|
|
|
-1.6143 1.2224 7.0488 7.0488 9.6685 11.3415 11.3415 15.2988
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5250 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.5033 1.0633 7.0351 7.0351 9.6472 11.3232 11.3232 15.2703
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4333 1.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9444 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.4000 1.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3667 1.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.3000 1.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2667 1.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2333 1.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.2000 1.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2105 6.4734 10.0759 12.2259 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1667 1.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1333 1.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.1000 1.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0667 1.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6007 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0333 1.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6007 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2105 6.4734 10.0759 12.2259 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9444 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 1.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 1.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 1.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 1.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 1.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 1.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 1.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 1.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 1.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 1.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 1.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 1.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 1.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 1.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 1.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.0384 0.7628 5.2508 5.2508 8.4392 8.6080 18.0774 18.0774
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.4175 1.1823 5.2818 5.2818 8.3996 8.7393 17.6631 17.6631
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.1500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-0.7806 1.6146 5.3336 5.3336 8.3919 8.9021 17.2070 17.2070
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.1270 2.0536 5.4055 5.4055 8.4081 9.0990 16.7375 16.7375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.2500 0.0000 ( 327 PWs) bands (ev):
|
|
|
|
-1.4549 2.5000 5.4977 5.4977 8.4546 9.3307 16.2686 16.2686
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-1.7653 2.9509 5.6091 5.6091 8.5211 9.5961 15.7981 15.7981
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.3500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.0589 3.4054 5.7406 5.7406 8.6116 9.8940 15.3306 15.3306
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.3305 3.8662 5.8920 5.8920 8.7262 10.2278 14.8748 14.8748
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.4500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.5844 4.3245 6.0613 6.0613 8.8616 10.5934 14.4188 14.4188
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5000 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.5500 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-3.0255 5.2362 6.4534 6.4534 9.1897 11.4015 13.5237 13.5237
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6000 0.0000 ( 347 PWs) bands (ev):
|
|
|
|
-3.2152 5.6861 6.6735 6.6735 9.3763 11.8198 13.0846 13.0846
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.6500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.3814 6.1329 6.9077 6.9077 9.5742 12.2181 12.6638 12.6638
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5267 6.5659 7.1526 7.1526 9.7775 12.2493 12.2493 12.5212
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.7500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.6493 6.9847 7.4039 7.4039 9.9821 11.8524 11.8524 12.6125
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.7504 7.3796 7.6555 7.6555 10.1748 11.4810 11.4810 12.4726
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.8500 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8292 7.7374 7.8961 7.8961 10.3469 11.1466 11.1466 12.2143
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9000 0.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.8855 8.0353 8.1067 8.1067 10.4852 10.8686 10.8686 11.9512
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.9500 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9178 8.2413 8.2589 8.2589 10.5759 10.6774 10.6774 11.7576
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 2.0000 0.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 2.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 1.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 1.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 1.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 1.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 1.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9114 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 1.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 1.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 1.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 1.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 1.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4067 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 1.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2367 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 1.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6828 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 1.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 1.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6828 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2367 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4067 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9114 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250-0.0250 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500-0.0500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750-0.0750 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250-0.1250 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500-0.1500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750-0.1750 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250-0.2250 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500-0.2500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750-0.2750 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250-0.3250 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500-0.3500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750-0.3750 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250-0.4250 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500-0.4500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750-0.4750 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9444 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2105 6.4734 10.0759 12.2259 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6007 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8154 4.7818 6.2489 6.2489 9.0171 10.9870 13.9682 13.9682
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333-0.0333 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.8061 4.7367 6.2251 6.2555 9.0842 11.0233 13.8811 13.9328
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667-0.0667 0.5000 ( 343 PWs) bands (ev):
|
|
|
|
-2.7784 4.6007 6.1744 6.2752 9.2604 11.1375 13.6515 13.8299
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000-0.1000 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.7318 4.3771 6.1351 6.3078 9.4899 11.3421 13.3367 13.6690
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333-0.1333 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-2.6679 4.0843 6.1269 6.3523 9.7183 11.6503 12.9836 13.4599
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667-0.1667 0.5000 ( 335 PWs) bands (ev):
|
|
|
|
-2.5866 3.7460 6.1543 6.4084 9.9161 12.0559 12.6274 13.2210
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000-0.2000 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.4889 3.3825 6.2105 6.4734 10.0759 12.2259 12.5978 12.9574
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333-0.2333 0.5000 ( 336 PWs) bands (ev):
|
|
|
|
-2.3761 3.0113 6.2901 6.5469 10.1984 11.9023 12.6868 13.1505
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667-0.2667 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.2491 2.6425 6.3879 6.6263 10.2756 11.6060 12.4188 13.7604
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000-0.3000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-2.1122 2.2885 6.4989 6.7084 10.2938 11.3801 12.1633 14.3918
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333-0.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.9699 1.9554 6.6185 6.7899 10.2278 11.2544 11.9296 14.9884
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667-0.3667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.8257 1.6535 6.7382 6.8665 10.0900 11.2229 11.7233 15.3849
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000-0.4000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.6893 1.3927 6.8501 6.9335 9.9272 11.2420 11.5532 15.4375
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333-0.4333 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5714 1.1878 6.9444 6.9853 9.7826 11.2770 11.4231 15.3590
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667-0.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4917 1.0538 7.0079 7.0190 9.6773 11.3061 11.3439 15.2874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000-0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5250 0.4750 0.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5500 0.4500 0.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5750 0.4250 0.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6250 0.3750 0.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6500 0.3500 0.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6750 0.3250 0.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7250 0.2750 0.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7500 0.2500 0.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7750 0.2250 0.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8250 0.1750 0.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8500 0.1500 0.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8750 0.1250 0.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9250 0.0750 0.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9500 0.0500 0.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9750 0.0250 0.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2000 5.2000 8.5764 8.5764 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.1500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.2500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.3500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.4500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5000 0.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.5500 0.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.6500 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7000 0.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.7500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8000 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.8500 0.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.9500 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2000 5.2000 8.5764 8.5764 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9114 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4067 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2367 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6828 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5333 0.4667 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7952 2.7138 4.2145 6.8051 10.5058 12.5731 13.5634 13.7525
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5667 0.4333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7650 2.7034 4.2392 6.6129 10.7833 12.1394 13.2179 13.9956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6000 0.4000 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7145 2.6828 4.2798 6.3494 11.1857 11.7023 12.6982 14.4311
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6333 0.3667 0.0000 ( 337 PWs) bands (ev):
|
|
|
|
-1.6433 2.6458 4.3365 6.0636 11.2720 11.6412 12.2367 14.8589
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.6667 0.3333 0.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5540 2.5838 4.4067 5.7875 10.8526 11.6089 12.3394 15.2653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7000 0.3000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4436 2.4907 4.4908 5.5467 10.4517 11.1735 12.9153 15.6579
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7333 0.2667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.3143 2.3585 4.5867 5.3564 10.0737 10.7374 13.5502 16.0319
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.7667 0.2333 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-1.1660 2.1845 4.6911 5.2242 9.7196 10.3208 14.2172 16.3856
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8000 0.2000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9991 1.9710 4.8007 5.1484 9.3957 9.9320 14.9042 16.7219
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8333 0.1667 0.0000 ( 340 PWs) bands (ev):
|
|
|
|
-0.8131 1.7283 4.9114 5.1210 9.1087 9.5766 15.6038 17.0450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.8667 0.1333 0.0000 ( 341 PWs) bands (ev):
|
|
|
|
-0.6101 1.4630 5.0166 5.1290 8.8655 9.2584 16.3043 17.3537
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9000 0.1000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.3907 1.1861 5.1092 5.1591 8.6749 8.9858 16.9896 17.6496
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9333 0.0667 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
-0.1557 0.9055 5.1812 5.1968 8.5469 8.7630 17.6228 17.9297
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.9667 0.0333 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.0937 0.6272 5.2259 5.2279 8.4900 8.6012 18.1098 18.1707
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-1.0000 0.0000 0.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4750 0.4750 1.4750 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4500 0.4500 1.4500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4250 0.4250 1.4250 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.4000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3750 0.3750 1.3750 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3500 0.3500 1.3500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3250 0.3250 1.3250 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.3000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2750 0.2750 1.2750 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2500 0.2500 1.2500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2250 0.2250 1.2250 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.2000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1750 0.1750 1.1750 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1500 0.1500 1.1500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1250 0.1250 1.1250 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.1000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0750 0.0750 1.0750 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0500 0.0500 1.0500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0250 0.0250 1.0250 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2000 5.2000 8.5764 8.5764 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.1500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.2500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.3500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.4500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5000 1.0000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.5500 1.0000 ( 348 PWs) bands (ev):
|
|
|
|
0.5542 0.5542 4.0969 4.0969 11.9216 11.9216 13.4247 13.4247
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5382 0.5382 4.1631 4.1631 11.3994 11.3994 14.0114 14.0114
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.6500 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.5134 0.5134 4.2690 4.2690 10.8660 10.8660 14.6498 14.6498
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7000 1.0000 ( 344 PWs) bands (ev):
|
|
|
|
0.4834 0.4834 4.4087 4.4087 10.3537 10.3537 15.3099 15.3099
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.7500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.4521 0.4521 4.5740 4.5740 9.8767 9.8767 15.9802 15.9802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.4207 0.4207 4.7532 4.7532 9.4415 9.4415 16.6423 16.6423
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.8500 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3937 0.3937 4.9317 4.9317 9.0667 9.0667 17.2756 17.2756
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3731 0.3731 5.0892 5.0892 8.7705 8.7705 17.8303 17.8303
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.9500 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3600 0.3600 5.2000 5.2000 8.5764 8.5764 18.1844 18.1844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 1.0000 1.0000 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9291 8.3152 8.3152 8.3152 10.6075 10.6075 10.6075 11.6858
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9667 0.9667 1.0000 ( 331 PWs) bands (ev):
|
|
|
|
-3.9191 8.2055 8.2643 8.3109 10.6177 10.6321 10.6653 11.7522
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9333 0.9333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8898 7.9202 8.1194 8.2978 10.6484 10.6999 10.7872 11.9550
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.9000 0.9000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.8397 7.5384 7.9009 8.2748 10.6994 10.8004 10.9031 12.2803
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8667 0.8667 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.7699 7.1108 7.6292 8.2407 10.7709 10.9231 10.9938 12.6778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8333 0.8333 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.6803 6.6651 7.3224 8.1935 10.8627 11.0620 11.0656 13.0802
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.8000 0.8000 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.5715 6.2155 6.9942 8.1313 10.9748 11.1229 11.2144 13.4130
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7667 0.7667 1.0000 ( 335 PWs) bands (ev):
|
|
|
|
-3.4440 5.7698 6.6552 8.0532 11.1068 11.1684 11.3791 13.6166
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7333 0.7333 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-3.2970 5.3330 6.3126 7.9567 11.1906 11.2593 11.5593 13.6879
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.7000 0.7000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-3.1308 4.9106 5.9727 7.8425 11.1882 11.4319 11.7568 13.6880
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6667 0.6667 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
-2.9490 4.5014 5.6389 7.7098 11.1474 11.6204 11.9659 13.6731
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6333 0.6333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.7487 4.1098 5.3175 7.5625 11.0655 11.8325 12.1941 13.6863
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.6000 0.6000 1.0000 ( 333 PWs) bands (ev):
|
|
|
|
-2.5330 3.7351 5.0112 7.4046 10.9442 12.0656 12.4386 13.7450
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5667 0.5667 1.0000 ( 337 PWs) bands (ev):
|
|
|
|
-2.3027 3.3761 4.7215 7.2341 10.7862 12.3154 12.6951 13.8493
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5333 0.5333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-2.0589 3.0371 4.4520 7.0572 10.6035 12.5856 12.9703 13.9979
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 0.5000 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 0.4667 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.5439 2.4162 3.9875 6.6972 10.2009 13.1835 13.5664 14.4069
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 0.4333 1.0000 ( 339 PWs) bands (ev):
|
|
|
|
-1.2759 2.1356 3.8001 6.5202 9.9963 13.5109 13.8771 14.6561
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 0.4000 1.0000 ( 343 PWs) bands (ev):
|
|
|
|
-1.0118 1.8748 3.6482 6.3484 9.7965 13.8541 14.1635 14.9267
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 0.3667 1.0000 ( 349 PWs) bands (ev):
|
|
|
|
-0.7547 1.6313 3.5383 6.1844 9.6038 14.2145 14.2548 15.1891
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 0.3333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.5122 1.4115 3.4788 6.0300 9.4242 13.8216 14.5931 15.2603
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 0.3000 1.0000 ( 351 PWs) bands (ev):
|
|
|
|
-0.2931 1.2105 3.4757 5.8862 9.2546 13.1568 14.9854 15.5874
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 0.2667 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
-0.1048 1.0318 3.5364 5.7551 9.1027 12.4653 15.3939 15.9853
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 0.2333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.0466 0.8736 3.6631 5.6373 8.9662 11.7776 15.8144 16.4141
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 0.2000 1.0000 ( 341 PWs) bands (ev):
|
|
|
|
0.1626 0.7364 3.8533 5.5341 8.8465 11.1126 16.2478 16.8653
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 0.1667 1.0000 ( 353 PWs) bands (ev):
|
|
|
|
0.2406 0.6179 4.0969 5.4449 8.7418 10.4762 16.6776 17.1967
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 0.1333 1.0000 ( 347 PWs) bands (ev):
|
|
|
|
0.2932 0.5249 4.3793 5.3723 8.6593 9.8866 17.1103 17.5201
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 0.1000 1.0000 ( 346 PWs) bands (ev):
|
|
|
|
0.3254 0.4506 4.6766 5.3148 8.5932 9.3594 17.5263 17.8145
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 0.0667 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3438 0.3979 4.9542 5.2736 8.5464 8.9211 17.9016 18.0608
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 0.0333 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3528 0.3661 5.1615 5.2488 8.5179 8.6187 18.1815 18.2294
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 0.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 1.0000 ( 342 PWs) bands (ev):
|
|
|
|
0.3555 0.3555 5.2405 5.2405 8.5084 8.5084 18.2904 18.2904
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0250 0.9750 0.9750 ( 342 PWs) bands (ev):
|
|
|
|
0.1593 0.5595 5.1980 5.2477 8.4957 8.5968 18.1668 18.1920
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0500 0.9500 0.9500 ( 342 PWs) bands (ev):
|
|
|
|
-0.0273 0.7688 5.0816 5.2694 8.5187 8.7906 17.8470 17.9179
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0750 0.9250 0.9250 ( 342 PWs) bands (ev):
|
|
|
|
-0.2032 0.9800 4.9169 5.3055 8.5638 9.0807 17.4163 17.5209
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.9000 ( 340 PWs) bands (ev):
|
|
|
|
-0.3675 1.1877 4.7328 5.3558 8.6294 9.4435 16.9380 17.0534
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1250 0.8750 0.8750 ( 343 PWs) bands (ev):
|
|
|
|
-0.5202 1.3828 4.5543 5.4195 8.7118 9.8601 16.4345 16.5462
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1500 0.8500 0.8500 ( 342 PWs) bands (ev):
|
|
|
|
-0.6603 1.5563 4.4058 5.4972 8.8124 10.3191 15.9369 16.0229
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1750 0.8250 0.8250 ( 342 PWs) bands (ev):
|
|
|
|
-0.7880 1.6915 4.3087 5.5871 8.9316 10.8136 15.4387 15.4899
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.8000 ( 342 PWs) bands (ev):
|
|
|
|
-0.9029 1.7747 4.2828 5.6896 9.0659 11.3344 14.9516 14.9575
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2250 0.7750 0.7750 ( 342 PWs) bands (ev):
|
|
|
|
-1.0054 1.7981 4.3392 5.8035 9.2155 11.8761 14.4310 14.4792
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2500 0.7500 0.7500 ( 346 PWs) bands (ev):
|
|
|
|
-1.0974 1.7647 4.4757 5.9274 9.3786 12.4284 13.9200 14.0235
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2750 0.7250 0.7250 ( 346 PWs) bands (ev):
|
|
|
|
-1.1758 1.6901 4.6796 6.0600 9.5521 12.9313 13.4831 13.5906
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.7000 ( 345 PWs) bands (ev):
|
|
|
|
-1.2430 1.5919 4.9340 6.1992 9.7321 12.8129 13.1803 13.6989
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3250 0.6750 0.6750 ( 343 PWs) bands (ev):
|
|
|
|
-1.2995 1.4820 5.2247 6.3421 9.9123 12.3704 12.7988 14.2652
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3500 0.6500 0.6500 ( 341 PWs) bands (ev):
|
|
|
|
-1.3475 1.3723 5.5392 6.4855 10.0787 11.9397 12.4494 14.8414
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3750 0.6250 0.6250 ( 343 PWs) bands (ev):
|
|
|
|
-1.3853 1.2692 5.8638 6.6246 10.1997 11.5642 12.1324 15.3558
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.6000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4154 1.1791 6.1890 6.7540 10.2216 11.3102 11.8572 15.6321
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4250 0.5750 0.5750 ( 342 PWs) bands (ev):
|
|
|
|
-1.4365 1.1061 6.4984 6.8666 10.0963 11.2256 11.6309 15.5800
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4500 0.5500 0.5500 ( 343 PWs) bands (ev):
|
|
|
|
-1.4513 1.0516 6.7675 6.9541 9.8880 11.2511 11.4586 15.4262
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4750 0.5250 0.5250 ( 344 PWs) bands (ev):
|
|
|
|
-1.4602 1.0182 6.9592 7.0109 9.7112 11.2966 11.3529 15.3050
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.6500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.7500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.8500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.9500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0000 0.5000 ( 339 PWs) bands (ev):
|
|
|
|
-1.8050 2.7172 4.2062 6.8772 10.4057 12.8753 13.2625 14.1860
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.0500 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.7986 2.6320 4.3080 6.8806 10.4110 12.7911 13.0732 14.3837
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.7787 2.4262 4.5629 6.8906 10.4236 12.5899 12.7085 14.7713
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.1500 0.5000 ( 347 PWs) bands (ev):
|
|
|
|
-1.7480 2.1742 4.8978 6.9064 10.4397 12.3204 12.3487 15.1956
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2000 0.5000 ( 345 PWs) bands (ev):
|
|
|
|
-1.7054 1.9152 5.2708 6.9272 10.4465 11.9548 12.1072 15.5844
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.2500 0.5000 ( 340 PWs) bands (ev):
|
|
|
|
-1.6545 1.6700 5.6591 6.9510 10.4168 11.6450 11.8836 15.8283
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.6019 1.4495 6.0443 6.9738 10.3106 11.4320 11.6864 15.8102
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.3500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.5493 1.2652 6.4082 6.9962 10.1215 11.3331 11.5285 15.6329
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4000 0.5000 ( 341 PWs) bands (ev):
|
|
|
|
-1.5037 1.1255 6.7230 7.0145 9.8977 11.3096 11.4122 15.4427
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.4500 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4737 1.0371 6.9470 7.0264 9.7127 11.3125 11.3410 15.3084
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.5000 1.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4667 1.4667 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4333 1.4333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6680 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.4000 1.4000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3667 1.3667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3333 1.3333 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.3000 1.3000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1357 6.3061 10.8619 11.0125 13.1270 15.8678
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2667 1.2667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2333 1.2333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8100 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.2000 1.2000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1667 1.1667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1333 1.1333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4380 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.1000 1.1000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0667 1.0667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0333 1.0333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k = 0.0000 1.0000 0.5000 ( 360 PWs) bands (ev):
|
|
|
|
0.5578 0.5578 4.0739 4.0739 12.2312 12.2312 13.0869 13.0869
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0333 0.9667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.3370 0.7737 3.9194 4.2690 12.0343 12.3277 13.0028 13.3249
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.0667 0.9333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
0.1153 0.9676 3.8169 4.4931 11.8193 12.2249 13.1533 13.6123
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1000 0.9000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-0.0993 1.1285 3.7814 4.7390 11.6178 12.0296 13.4360 13.9318
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1333 0.8667 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.3052 1.2420 3.8261 4.9994 11.4380 11.8141 13.7713 14.2617
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.1667 0.8333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.4973 1.3045 3.9556 5.2692 11.2867 11.6061 14.1449 14.6053
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2000 0.8000 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-0.6755 1.3194 4.1649 5.5416 11.1651 11.4075 14.5391 14.9538
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2333 0.7667 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.8368 1.2993 4.4416 5.8100 11.0794 11.2196 14.3834 14.9611
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.2667 0.7333 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-0.9810 1.2578 4.7696 6.0673 11.0273 11.0392 13.7362 15.4041
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3000 0.7000 0.5000 ( 346 PWs) bands (ev):
|
|
|
|
-1.1082 1.2063 5.1357 6.3061 10.8619 11.0125 13.1270 15.8678
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3333 0.6667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.2151 1.1541 5.5254 6.5194 10.6760 11.0339 12.5762 15.9805
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.3667 0.6333 0.5000 ( 348 PWs) bands (ev):
|
|
|
|
-1.3059 1.1045 5.9243 6.7000 10.4635 11.0864 12.1006 15.9013
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4000 0.6000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.3740 1.0639 6.3155 6.8439 10.2190 11.1601 11.7357 15.6972
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4333 0.5667 0.5000 ( 342 PWs) bands (ev):
|
|
|
|
-1.4231 1.0329 6.6680 6.9477 9.9546 11.2377 11.4925 15.4778
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.4667 0.5333 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4531 1.0135 6.9298 7.0097 9.7322 11.2945 11.3587 15.3184
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
k =-0.5000 0.5000 0.5000 ( 344 PWs) bands (ev):
|
|
|
|
-1.4631 1.0070 7.0306 7.0306 9.6422 11.3170 11.3170 15.2607
|
|
|
|
occupation numbers
|
|
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
|
|
|
|
highest occupied, lowest unoccupied level (ev): 6.0755 9.0341
|
|
|
|
! total energy = -15.47375827 Ry
|
|
estimated scf accuracy < 1.3E-12 Ry
|
|
|
|
convergence has been achieved in 1 iterations
|
|
|
|
Using ACE for calculation of exact exchange
|
|
ACE projected onto 8 (nbndproj) and applied to 8 (nbnd) bands
|
|
|
|
!! total energy = -15.47375827 Ry
|
|
Harris-Foulkes estimate = -15.47375827 Ry
|
|
est. exchange err (dexx) = 3.5E-09 Ry
|
|
- averaged Fock potential = 0.90242888 Ry
|
|
+ Fock energy (ACE) = -0.45121439 Ry
|
|
|
|
EXX self-consistency reached
|
|
|
|
Writing all to output data dir /home/paulatto/espresso/tempdir/silicon.save/
|
|
|
|
init_run : 0.92s CPU 1.00s WALL ( 1 calls)
|
|
electrons : 67.56s CPU 71.35s WALL ( 7 calls)
|
|
|
|
Called by init_run:
|
|
aceinit0 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
wfcinit : 0.88s CPU 0.93s WALL ( 1 calls)
|
|
wfcinit:atom : 0.03s CPU 0.03s WALL ( 578 calls)
|
|
wfcinit:wfcr : 0.77s CPU 0.82s WALL ( 578 calls)
|
|
potinit : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
hinit0 : 0.01s CPU 0.04s WALL ( 1 calls)
|
|
|
|
Called by electrons:
|
|
c_bands : 58.82s CPU 62.13s WALL ( 21 calls)
|
|
sum_band : 8.55s CPU 8.95s WALL ( 21 calls)
|
|
v_of_rho : 0.14s CPU 0.14s WALL ( 19 calls)
|
|
v_h : 0.00s CPU 0.00s WALL ( 19 calls)
|
|
v_xc : 0.13s CPU 0.14s WALL ( 19 calls)
|
|
mix_rho : 0.00s CPU 0.00s WALL ( 21 calls)
|
|
|
|
Called by c_bands:
|
|
init_us_2 : 1.07s CPU 1.13s WALL ( 24854 calls)
|
|
init_us_2:cp : 0.98s CPU 1.04s WALL ( 24854 calls)
|
|
cegterg : 57.42s CPU 60.63s WALL ( 12138 calls)
|
|
|
|
Called by sum_band:
|
|
sum_band:wei : 0.00s CPU 0.00s WALL ( 21 calls)
|
|
sum_band:loo : 8.53s CPU 8.94s WALL ( 21 calls)
|
|
sum_band:buf : 0.09s CPU 0.10s WALL ( 12138 calls)
|
|
sum_band:ini : 0.56s CPU 0.59s WALL ( 12138 calls)
|
|
|
|
Called by *egterg:
|
|
cdiaghg : 3.68s CPU 3.91s WALL ( 47425 calls)
|
|
cegterg:over : 1.70s CPU 1.81s WALL ( 41067 calls)
|
|
cegterg:upda : 0.89s CPU 0.94s WALL ( 41067 calls)
|
|
cegterg:last : 1.23s CPU 1.30s WALL ( 29532 calls)
|
|
h_psi : 48.39s CPU 51.10s WALL ( 53783 calls)
|
|
g_psi : 0.45s CPU 0.48s WALL ( 41067 calls)
|
|
|
|
Called by h_psi:
|
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h_psi:calbec : 0.98s CPU 1.04s WALL ( 53783 calls)
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vloc_psi : 44.54s CPU 47.03s WALL ( 53783 calls)
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add_vuspsi : 0.74s CPU 0.79s WALL ( 53783 calls)
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General routines
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calbec : 1.70s CPU 1.83s WALL ( 109446 calls)
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fft : 0.01s CPU 0.04s WALL ( 185 calls)
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ffts : 0.00s CPU 0.00s WALL ( 21 calls)
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fftw : 46.80s CPU 49.46s WALL ( 700336 calls)
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fftc : 298.03s CPU 308.19s WALL ( 4143104 calls)
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fftcw : 6.58s CPU 7.08s WALL ( 97104 calls)
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Parallel routines
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EXX routines
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exx_grid : 0.47s CPU 0.47s WALL ( 1 calls)
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exxinit : 5.45s CPU 5.84s WALL ( 7 calls)
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vexx : 426.18s CPU 441.52s WALL ( 4046 calls)
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matcalc : 1.13s CPU 1.23s WALL ( 55663 calls)
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aceupdate : 0.00s CPU 0.00s WALL ( 14 calls)
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vexxace : 1.77s CPU 1.93s WALL ( 44103 calls)
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aceinit : 426.39s CPU 441.75s WALL ( 4046 calls)
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PWSCF : 8m21.48s CPU 8m41.43s WALL
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This run was terminated on: 14:21:25 15Feb2022
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=------------------------------------------------------------------------------=
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JOB DONE.
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=------------------------------------------------------------------------------=
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