mirror of https://gitlab.com/QEF/q-e.git
1607 lines
99 KiB
Plaintext
1607 lines
99 KiB
Plaintext
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=--------------------------------------------------------------------------------=
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::: ::: :::::::: ::: :::
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:+: :+: :+: :+: :+: :+:
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+:+ +:+ +:+ +:+ +:+
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+#++:++ +#+ +#+ +:+ +#+
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+#+ +#+ +#+ +#+ +#+#+ +#+
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#+# #+# #+# #+# #+#+# #+#+#
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### ### ######## ### ###
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Koopmans functional implementation based on DFPT; please cite this program as
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N.Colonna, R. De Gennaro, E. Linscott, and N. Marzari, JCTC 18, 5435 (2022)
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If you use the non-collinear mode (with/without spin-orbit coupling) please cite
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A. Marrazzo and N. Colonna, arXiv:2402.14575 (2024)
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=--------------------------------------------------------------------------------=
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Program KCW v.7.3.1 starts on 5Jun2024 at 10:54: 7
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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 8 processors
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MPI processes distributed on 1 nodes
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R & G space division: proc/nbgrp/npool/nimage = 8
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240182 MiB available memory on the printing compute node when the environment starts
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KCW INPUT SUMMARY
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============================================
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CONTROL
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# title = KI H2O
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# out_dir =/home/colonna_n/CO
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# prefix = cri3
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# calculation = ham
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# kcw_iverbosity = 1
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# kcw_at_ks = F
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# MP grid = 2 2 2
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# spin_component = 2
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# homo_only = F
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# read_unitary_matrix = T
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# check_ks = T
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# l_vcut = F
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# assume_isolated = none
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# io_sp = F
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# io_real_space = F
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WANNIER
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# seedname = wann
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# num_wann_occ = 32
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# num_wann_emp = 10
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# have_empty = T
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# has_disentangle = F
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# l_unique_manifold = F
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HAM
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# qp_symm = F
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# kipz_corr = F
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# MP grid = 2 2 2
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# do_bands = T
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# use_ws_distance = T
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# write_hr = T
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# l_alpha_corr = F
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# on_site_only = T
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============================================
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INFO: Reading pwscf data
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Reading xml data from directory:
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/home/colonna_n/CODES/q-e-kcw-soc/tempdir/cri3.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation= PW
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( 1 4 0 0 0 0 0)
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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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Parallelization info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Min 269 269 73 7767 7767 1130
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Max 270 270 74 7768 7768 1134
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Sum 2159 2159 591 62139 62139 9063
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Using Slab Decomposition
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Check: negative core charge= -0.000182
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Reading collected, re-writing distributed wavefunctions
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INFO: total number of primitive cell 8
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READING SCREENING PARAMETERS
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INFO: alphas read from:file_alpharef.txt
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iwann = 1 alpha = 0.12200000
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iwann = 2 alpha = 0.12200000
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iwann = 3 alpha = 0.12200000
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iwann = 4 alpha = 0.12200000
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iwann = 5 alpha = 0.12200000
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iwann = 6 alpha = 0.12200000
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iwann = 7 alpha = 0.12200000
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iwann = 8 alpha = 0.12200000
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iwann = 9 alpha = 0.12200000
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iwann = 10 alpha = 0.12200000
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iwann = 11 alpha = 0.12200000
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iwann = 12 alpha = 0.12200000
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iwann = 13 alpha = 0.12200000
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iwann = 14 alpha = 0.12200000
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iwann = 15 alpha = 0.12200000
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iwann = 16 alpha = 0.12200000
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iwann = 17 alpha = 0.12200000
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iwann = 18 alpha = 0.12200000
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iwann = 19 alpha = 0.12200000
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iwann = 20 alpha = 0.12200000
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iwann = 21 alpha = 0.12200000
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iwann = 22 alpha = 0.12200000
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iwann = 23 alpha = 0.12200000
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iwann = 24 alpha = 0.12200000
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iwann = 25 alpha = 0.12200000
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iwann = 26 alpha = 0.12200000
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iwann = 27 alpha = 0.12200000
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iwann = 28 alpha = 0.12200000
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iwann = 29 alpha = 0.12200000
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iwann = 30 alpha = 0.12200000
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iwann = 31 alpha = 0.12200000
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iwann = 32 alpha = 0.12200000
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iwann = 33 alpha = 0.12200000
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iwann = 34 alpha = 0.12200000
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iwann = 35 alpha = 0.12200000
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iwann = 36 alpha = 0.12200000
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iwann = 37 alpha = 0.12200000
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iwann = 38 alpha = 0.12200000
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iwann = 39 alpha = 0.12200000
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iwann = 40 alpha = 0.12200000
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iwann = 41 alpha = 0.12200000
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iwann = 42 alpha = 0.12200000
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INFO: MLWF read from file: Reading collected, re-writing distributed wavefunctions
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KS Hamiltonian calculation at k= 0.0000 0.0000 0.0000 ... DONE
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WANN -67.9304 -67.9240 -39.4095 -39.4019 -39.3604 -39.3604 -39.3496 -39.3496
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WANN -8.4661 -7.5268 -7.3432 -7.3432 -7.2625 -7.2625 0.1919 0.2612
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WANN 1.0559 1.0559 1.2679 1.2679 1.3610 2.1678 2.5809 2.5809
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WANN 2.7153 2.8413 2.8413 3.9385 3.9385 4.4026 4.4356 4.4356
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WANN 6.5163 6.5340 6.5398 6.5398 6.8425 6.8425 7.5960 7.5960
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WANN 7.7698 7.7698
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PWSCF -67.9308 -67.9243 -39.4098 -39.4022 -39.3607 -39.3607 -39.3499 -39.3499
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PWSCF -8.4661 -7.5268 -7.3432 -7.3432 -7.2624 -7.2624 0.1919 0.2611
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PWSCF 1.0559 1.0559 1.2679 1.2679 1.3610 2.1678 2.5808 2.5808
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PWSCF 2.7153 2.8413 2.8413 3.9385 3.9385 4.4027 4.4356 4.4356
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PWSCF 6.5161 6.5338 6.5396 6.5396 6.8423 6.8423 7.5958 7.5958
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PWSCF 7.7697 7.7697
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KS Hamiltonian calculation at k= 0.0000 -0.6475 0.1944 ... DONE
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WANN -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
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WANN -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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WANN 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
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WANN 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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WANN 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
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WANN 7.7209 7.7271
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PWSCF -67.9284 -67.9247 -39.4018 -39.4003 -39.3646 -39.3593 -39.3558 -39.3409
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PWSCF -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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PWSCF 0.7341 1.3296 1.5247 1.8107 1.9021 2.1563 2.4480 2.4621
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PWSCF 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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PWSCF 6.2300 6.3051 6.7927 6.7970 6.8880 7.0118 7.3817 7.6239
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PWSCF 7.7207 7.7269
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KS Hamiltonian calculation at k= -0.5607 0.3237 0.1944 ... DONE
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WANN -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
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WANN -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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WANN 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
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WANN 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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WANN 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
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WANN 7.7209 7.7271
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PWSCF -67.9284 -67.9247 -39.4018 -39.4003 -39.3646 -39.3593 -39.3558 -39.3409
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PWSCF -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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PWSCF 0.7341 1.3296 1.5247 1.8107 1.9021 2.1563 2.4480 2.4621
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PWSCF 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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PWSCF 6.2300 6.3051 6.7927 6.7970 6.8880 7.0118 7.3817 7.6239
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PWSCF 7.7207 7.7269
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KS Hamiltonian calculation at k= -0.5607 -0.3237 0.3888 ... DONE
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WANN -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
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WANN -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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WANN 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
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WANN 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
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WANN 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
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WANN 7.6065 7.7116
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PWSCF -67.9333 -67.9309 -39.4114 -39.4027 -39.3727 -39.3670 -39.3656 -39.3442
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PWSCF -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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PWSCF 1.1570 1.2871 1.3235 1.7410 2.0957 2.3283 2.4211 2.4420
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PWSCF 2.6930 2.7076 3.1256 3.1900 3.3248 3.7000 3.7551 4.1696
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PWSCF 6.3223 6.3460 6.6831 6.6876 6.8959 7.0143 7.3246 7.5129
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PWSCF 7.6064 7.7114
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KS Hamiltonian calculation at k= 0.5607 0.3237 0.1944 ... DONE
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WANN -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
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WANN -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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WANN 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
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WANN 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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WANN 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
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WANN 7.7209 7.7271
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PWSCF -67.9284 -67.9247 -39.4018 -39.4003 -39.3646 -39.3593 -39.3558 -39.3409
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PWSCF -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
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PWSCF 0.7341 1.3296 1.5247 1.8107 1.9021 2.1563 2.4480 2.4621
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PWSCF 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
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PWSCF 6.2300 6.3051 6.7927 6.7970 6.8880 7.0118 7.3817 7.6239
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PWSCF 7.7207 7.7269
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KS Hamiltonian calculation at k= 0.5607 -0.3237 0.3888 ... DONE
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WANN -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
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WANN -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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WANN 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
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WANN 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
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WANN 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
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WANN 7.6065 7.7116
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PWSCF -67.9333 -67.9309 -39.4114 -39.4027 -39.3727 -39.3670 -39.3656 -39.3442
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PWSCF -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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PWSCF 1.1570 1.2871 1.3235 1.7410 2.0957 2.3283 2.4211 2.4420
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PWSCF 2.6930 2.7076 3.1256 3.1900 3.3248 3.7000 3.7551 4.1696
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PWSCF 6.3223 6.3460 6.6831 6.6876 6.8959 7.0143 7.3246 7.5129
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PWSCF 7.6064 7.7114
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KS Hamiltonian calculation at k= 0.0000 0.6475 0.3888 ... DONE
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WANN -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
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WANN -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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WANN 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
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WANN 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
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WANN 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
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WANN 7.6065 7.7116
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PWSCF -67.9333 -67.9309 -39.4114 -39.4027 -39.3727 -39.3670 -39.3656 -39.3442
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PWSCF -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
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PWSCF 1.1570 1.2871 1.3235 1.7410 2.0957 2.3283 2.4211 2.4420
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PWSCF 2.6930 2.7076 3.1256 3.1900 3.3248 3.7000 3.7551 4.1696
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PWSCF 6.3223 6.3460 6.6831 6.6876 6.8959 7.0143 7.3246 7.5129
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PWSCF 7.6064 7.7114
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KS Hamiltonian calculation at k= 0.0000 0.0000 0.5832 ... DONE
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WANN -67.9294 -67.9261 -39.4096 -39.3770 -39.3644 -39.3644 -39.3574 -39.3574
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WANN -8.2756 -7.7907 -7.3610 -7.3610 -7.2472 -7.2472 0.1504 1.1714
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WANN 1.2738 1.2738 1.3701 1.3701 1.5365 2.1557 2.4052 2.4052
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WANN 2.4495 2.7490 2.7490 3.0632 3.7421 3.7421 4.3060 4.3060
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WANN 6.4376 6.5378 6.5378 6.7252 6.9083 6.9083 7.4171 7.4171
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WANN 7.7814 7.7814
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PWSCF -67.9297 -67.9264 -39.4099 -39.3773 -39.3648 -39.3648 -39.3577 -39.3577
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PWSCF -8.2756 -7.7907 -7.3609 -7.3609 -7.2472 -7.2472 0.1504 1.1714
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PWSCF 1.2738 1.2738 1.3701 1.3701 1.5365 2.1557 2.4052 2.4052
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PWSCF 2.4495 2.7489 2.7489 3.0632 3.7421 3.7421 4.3060 4.3060
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PWSCF 6.4374 6.5377 6.5377 6.7250 6.9081 6.9081 7.4169 7.4169
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PWSCF 7.7812 7.7812
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INFO: Coulomb q+G=0 treatment:
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INFO: Divergence none
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INFO: q-grid dimension 2 2 2
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INFO: cell volume 1819.528131144983
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INFO: Gamma Extrapolation F
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INFO: extrapolation q->0 term not estimated
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INFO: Bare Coulomb q+G=0 0.00000E+00
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INFO: READING Wannier-orbital Densities ...
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==============================================================================
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iq = 1
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The Wannier density at q = 0.0000000 0.0000000 0.0000000 [Cart ]
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The Wannier density at q = 0.0000000 0.0000000 0.0000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 2
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The Wannier density at q = 0.0000000 -0.6474914 0.1944075 [Cart ]
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The Wannier density at q = -0.0000000 -0.0000000 0.5000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 3
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The Wannier density at q = -0.5607440 0.3237457 0.1944075 [Cart ]
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The Wannier density at q = 0.0000000 0.5000000 -0.0000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 4
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The Wannier density at q = -0.5607440 -0.3237457 0.3888149 [Cart ]
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The Wannier density at q = -0.0000000 0.5000000 0.5000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 5
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The Wannier density at q = 0.5607440 0.3237457 0.1944075 [Cart ]
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The Wannier density at q = 0.5000000 0.0000000 -0.0000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 6
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The Wannier density at q = 0.5607440 -0.3237457 0.3888149 [Cart ]
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The Wannier density at q = 0.5000000 -0.0000000 0.5000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 7
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The Wannier density at q = 0.0000000 0.6474914 0.3888149 [Cart ]
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The Wannier density at q = 0.5000000 0.5000000 -0.0000000 [Cryst]
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==============================================================================
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==============================================================================
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iq = 8
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The Wannier density at q = 0.0000000 0.0000000 0.5832224 [Cart ]
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The Wannier density at q = 0.5000000 0.5000000 0.5000000 [Cryst]
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==============================================================================
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INFO: total number of wannier to compute 42 from 1 to 42
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INFO: PREPARING THE KCW CALCULATION ... DONE
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INFO: Skipping off-diag: only R=0 and i=j
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INFO: KC SCALAR TERM CALCULATION ... START
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INFO: KC SCALAR TERM CALCULATION ... END
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k = 0.0000 0.0000 0.0000 band energies (ev):
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KS -67.9304 -67.9240 -39.4095 -39.4019 -39.3604 -39.3604 -39.3496 -39.3496
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KS -8.4661 -7.5268 -7.3432 -7.3432 -7.2625 -7.2625 0.1919 0.2612
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KS 1.0559 1.0559 1.2679 1.2679 1.3610 2.1678 2.5809 2.5809
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KS 2.7153 2.8413 2.8413 3.9385 3.9385 4.4026 4.4356 4.4356
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KS 6.5163 6.5340 6.5398 6.5398 6.8425 6.8425 7.5960 7.5960
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KS 7.7698 7.7698
|
|
KI -69.3223 -69.3159 -40.7406 -40.7330 -40.6918 -40.6918 -40.6810 -40.6810
|
|
KI -8.9654 -8.0261 -7.8425 -7.8425 -7.7617 -7.7617 -0.1745 -0.1060
|
|
KI 0.6890 0.6890 0.9029 0.9030 0.9935 1.8048 2.2135 2.2136
|
|
KI 2.3504 2.4752 2.4753 3.5759 3.5759 4.0378 4.0697 4.0698
|
|
KI 7.0395 7.0572 7.0630 7.0630 7.3657 7.3657 8.0123 8.0123
|
|
KI 8.1861 8.1861
|
|
|
|
k = 0.0000-0.6475 0.1944 band energies (ev):
|
|
|
|
KS -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
|
|
KS -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
|
|
KS 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
|
|
KS 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
|
|
KS 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
|
|
KS 7.7209 7.7271
|
|
KI -69.3200 -69.3163 -40.7326 -40.7311 -40.6957 -40.6904 -40.6869 -40.6720
|
|
KI -8.5463 -8.3355 -7.9115 -7.8886 -7.8346 -7.8308 -0.2352 0.3311
|
|
KI 0.3672 0.9651 1.1575 1.4437 1.5367 1.7915 2.0810 2.0950
|
|
KI 2.2360 2.7560 2.9017 3.0778 3.0800 3.4525 3.5179 3.8367
|
|
KI 6.7533 6.8285 7.3160 7.3203 7.4114 7.5351 7.7981 8.0404
|
|
KI 8.1371 8.1434
|
|
|
|
k =-0.5607 0.3237 0.1944 band energies (ev):
|
|
|
|
KS -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
|
|
KS -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
|
|
KS 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
|
|
KS 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
|
|
KS 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
|
|
KS 7.7209 7.7271
|
|
KI -69.3200 -69.3163 -40.7326 -40.7311 -40.6957 -40.6905 -40.6869 -40.6720
|
|
KI -8.5463 -8.3355 -7.9115 -7.8886 -7.8346 -7.8308 -0.2352 0.3312
|
|
KI 0.3672 0.9651 1.1575 1.4437 1.5366 1.7914 2.0811 2.0950
|
|
KI 2.2359 2.7561 2.9017 3.0778 3.0801 3.4525 3.5179 3.8368
|
|
KI 6.7533 6.8285 7.3160 7.3203 7.4114 7.5351 7.7981 8.0404
|
|
KI 8.1371 8.1434
|
|
|
|
k =-0.5607-0.3237 0.3888 band energies (ev):
|
|
|
|
KS -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
|
|
KS -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
|
|
KS 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
|
|
KS 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
|
|
KS 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
|
|
KS 7.6065 7.7116
|
|
KI -69.3249 -69.3225 -40.7422 -40.7335 -40.7038 -40.6981 -40.6967 -40.6753
|
|
KI -8.4731 -8.2718 -7.9915 -7.9835 -7.9113 -7.7506 -0.1213 0.4548
|
|
KI 0.7906 0.9205 0.9571 1.3765 1.7299 1.9630 2.0537 2.0761
|
|
KI 2.3270 2.3398 2.7615 2.8245 2.9608 3.3359 3.3922 3.8056
|
|
KI 6.8457 6.8694 7.2065 7.2109 7.4193 7.5377 7.7410 7.9294
|
|
KI 8.0228 8.1278
|
|
|
|
k = 0.5607 0.3237 0.1944 band energies (ev):
|
|
|
|
KS -67.9280 -67.9244 -39.4015 -39.4000 -39.3643 -39.3590 -39.3555 -39.3406
|
|
KS -8.0471 -7.8363 -7.4123 -7.3893 -7.3353 -7.3315 0.1317 0.6972
|
|
KS 0.7342 1.3296 1.5248 1.8107 1.9022 2.1563 2.4481 2.4621
|
|
KS 2.6027 3.1215 3.2665 3.4420 3.4451 3.8176 3.8811 4.1999
|
|
KS 6.2301 6.3053 6.7929 6.7971 6.8882 7.0120 7.3818 7.6241
|
|
KS 7.7209 7.7271
|
|
KI -69.3200 -69.3163 -40.7326 -40.7311 -40.6957 -40.6905 -40.6869 -40.6720
|
|
KI -8.5463 -8.3355 -7.9115 -7.8886 -7.8346 -7.8308 -0.2352 0.3311
|
|
KI 0.3673 0.9650 1.1575 1.4438 1.5367 1.7915 2.0810 2.0950
|
|
KI 2.2359 2.7561 2.9016 3.0778 3.0801 3.4525 3.5179 3.8368
|
|
KI 6.7533 6.8285 7.3160 7.3203 7.4114 7.5351 7.7981 8.0404
|
|
KI 8.1371 8.1434
|
|
|
|
k = 0.5607-0.3237 0.3888 band energies (ev):
|
|
|
|
KS -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
|
|
KS -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
|
|
KS 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
|
|
KS 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
|
|
KS 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
|
|
KS 7.6065 7.7116
|
|
KI -69.3249 -69.3225 -40.7422 -40.7335 -40.7038 -40.6981 -40.6967 -40.6753
|
|
KI -8.4731 -8.2718 -7.9915 -7.9835 -7.9113 -7.7506 -0.1213 0.4548
|
|
KI 0.7906 0.9205 0.9571 1.3766 1.7299 1.9630 2.0537 2.0761
|
|
KI 2.3270 2.3398 2.7614 2.8244 2.9608 3.3359 3.3922 3.8056
|
|
KI 6.8457 6.8694 7.2065 7.2109 7.4193 7.5377 7.7410 7.9294
|
|
KI 8.0228 8.1278
|
|
|
|
k = 0.0000 0.6475 0.3888 band energies (ev):
|
|
|
|
KS -67.9330 -67.9306 -39.4111 -39.4024 -39.3723 -39.3667 -39.3653 -39.3439
|
|
KS -7.9738 -7.7726 -7.4922 -7.4842 -7.4121 -7.2513 0.2455 0.8219
|
|
KS 1.1570 1.2872 1.3235 1.7410 2.0958 2.3283 2.4211 2.4420
|
|
KS 2.6930 2.7077 3.1257 3.1900 3.3248 3.7000 3.7551 4.1696
|
|
KS 6.3225 6.3462 6.6833 6.6877 6.8961 7.0145 7.3248 7.5131
|
|
KS 7.6065 7.7116
|
|
KI -69.3249 -69.3225 -40.7422 -40.7335 -40.7038 -40.6982 -40.6967 -40.6753
|
|
KI -8.4731 -8.2718 -7.9915 -7.9835 -7.9113 -7.7506 -0.1213 0.4548
|
|
KI 0.7906 0.9205 0.9571 1.3766 1.7299 1.9631 2.0537 2.0761
|
|
KI 2.3269 2.3399 2.7614 2.8245 2.9608 3.3359 3.3923 3.8056
|
|
KI 6.8457 6.8694 7.2065 7.2109 7.4193 7.5377 7.7410 7.9294
|
|
KI 8.0228 8.1278
|
|
|
|
k = 0.0000 0.0000 0.5832 band energies (ev):
|
|
|
|
KS -67.9294 -67.9261 -39.4096 -39.3770 -39.3644 -39.3644 -39.3574 -39.3574
|
|
KS -8.2756 -7.7907 -7.3610 -7.3610 -7.2472 -7.2472 0.1504 1.1714
|
|
KS 1.2738 1.2738 1.3701 1.3701 1.5365 2.1557 2.4052 2.4052
|
|
KS 2.4495 2.7490 2.7490 3.0632 3.7421 3.7421 4.3060 4.3060
|
|
KS 6.4376 6.5378 6.5378 6.7252 6.9083 6.9083 7.4171 7.4171
|
|
KS 7.7814 7.7814
|
|
KI -69.3213 -69.3180 -40.7407 -40.7081 -40.6959 -40.6959 -40.6888 -40.6888
|
|
KI -8.7749 -8.2900 -7.8602 -7.8602 -7.7465 -7.7465 -0.2170 0.8040
|
|
KI 0.9063 0.9064 1.0052 1.0053 1.1707 1.7921 2.0388 2.0389
|
|
KI 2.0825 2.3826 2.3826 2.7007 3.3792 3.3793 3.9403 3.9404
|
|
KI 6.9607 7.0610 7.0610 7.2484 7.4315 7.4315 7.8334 7.8334
|
|
KI 8.1976 8.1976
|
|
|
|
KS highest occupied, lowest unoccupied level (ev): 4.4356 6.2301
|
|
KI[2nd] highest occupied, lowest unoccupied level (ev): 4.0698 6.7533
|
|
|
|
====================================
|
|
STARTING BAND STRUCTURE INTERPOLATION
|
|
====================================
|
|
|
|
KC interpolated eigenvalues at k= 0.0000 0.0000 0.0000
|
|
|
|
-69.3223 -69.3159 -40.7406 -40.7330 -40.6918 -40.6918 -40.6810 -40.6810
|
|
-8.9654 -8.0261 -7.8425 -7.8425 -7.7617 -7.7617 -0.1745 -0.1060
|
|
0.6890 0.6890 0.9029 0.9030 0.9935 1.8048 2.2135 2.2136
|
|
2.3504 2.4752 2.4753 3.5759 3.5759 4.0378 4.0697 4.0698
|
|
7.0395 7.0572 7.0630 7.0630 7.3657 7.3657 8.0123 8.0123
|
|
8.1861 8.1861
|
|
|
|
KC interpolated eigenvalues at k= 0.0167 0.0167 0.0167
|
|
|
|
-69.3223 -69.3159 -40.7406 -40.7329 -40.6918 -40.6918 -40.6810 -40.6810
|
|
-8.9650 -8.0266 -7.8425 -7.8425 -7.7617 -7.7617 -0.1730 -0.1064
|
|
0.6886 0.6887 0.9044 0.9045 0.9943 1.8040 2.2122 2.2123
|
|
2.3513 2.4751 2.4752 3.5756 3.5756 4.0343 4.0695 4.0695
|
|
7.0397 7.0572 7.0625 7.0634 7.3656 7.3664 8.0114 8.0114
|
|
8.1866 8.1866
|
|
|
|
KC interpolated eigenvalues at k= 0.0333 0.0333 0.0333
|
|
|
|
-69.3223 -69.3159 -40.7406 -40.7327 -40.6918 -40.6918 -40.6812 -40.6811
|
|
-8.9639 -8.0284 -7.8427 -7.8427 -7.7615 -7.7615 -0.1684 -0.1078
|
|
0.6875 0.6876 0.9090 0.9091 0.9968 1.8015 2.2083 2.2084
|
|
2.3540 2.4749 2.4751 3.5747 3.5747 4.0238 4.0687 4.0688
|
|
7.0403 7.0571 7.0621 7.0638 7.3659 7.3676 8.0087 8.0087
|
|
8.1879 8.1879
|
|
|
|
KC interpolated eigenvalues at k= 0.0500 0.0500 0.0500
|
|
|
|
-69.3223 -69.3160 -40.7406 -40.7324 -40.6917 -40.6917 -40.6814 -40.6813
|
|
-8.9620 -8.0312 -7.8430 -7.8430 -7.7613 -7.7613 -0.1609 -0.1100
|
|
0.6859 0.6860 0.9164 0.9165 1.0009 1.7974 2.2019 2.2020
|
|
2.3584 2.4747 2.4748 3.5731 3.5731 4.0064 4.0674 4.0675
|
|
7.0409 7.0571 7.0617 7.0641 7.3668 7.3694 8.0043 8.0043
|
|
8.1900 8.1900
|
|
|
|
KC interpolated eigenvalues at k= 0.0667 0.0667 0.0667
|
|
|
|
-69.3223 -69.3160 -40.7406 -40.7319 -40.6917 -40.6917 -40.6816 -40.6816
|
|
-8.9594 -8.0352 -7.8434 -7.8434 -7.7609 -7.7609 -0.1505 -0.1129
|
|
0.6840 0.6841 0.9263 0.9264 1.0064 1.7919 2.1932 2.1933
|
|
2.3643 2.4743 2.4745 3.5708 3.5709 3.9821 4.0657 4.0657
|
|
7.0409 7.0574 7.0618 7.0647 7.3682 7.3715 7.9985 7.9985
|
|
8.1926 8.1927
|
|
|
|
KC interpolated eigenvalues at k= 0.0833 0.0833 0.0833
|
|
|
|
-69.3223 -69.3160 -40.7406 -40.7313 -40.6916 -40.6916 -40.6820 -40.6819
|
|
-8.9561 -8.0402 -7.8439 -7.8439 -7.7605 -7.7605 -0.1379 -0.1156
|
|
0.6821 0.6822 0.9383 0.9384 1.0133 1.7852 2.1821 2.1823
|
|
2.3716 2.4739 2.4741 3.5679 3.5679 3.9511 4.0634 4.0635
|
|
7.0401 7.0575 7.0622 7.0663 7.3700 7.3741 7.9915 7.9915
|
|
8.1957 8.1957
|
|
|
|
KC interpolated eigenvalues at k= 0.1000 0.1000 0.1000
|
|
|
|
-69.3223 -69.3161 -40.7406 -40.7306 -40.6916 -40.6915 -40.6824 -40.6824
|
|
-8.9521 -8.0463 -7.8445 -7.8445 -7.7600 -7.7600 -0.1283 -0.1129
|
|
0.6804 0.6806 0.9522 0.9523 1.0214 1.7774 2.1690 2.1692
|
|
2.3801 2.4734 2.4736 3.5643 3.5643 3.9137 4.0606 4.0607
|
|
7.0384 7.0569 7.0625 7.0700 7.3722 7.3771 7.9835 7.9836
|
|
8.1988 8.1989
|
|
|
|
KC interpolated eigenvalues at k= 0.1167 0.1167 0.1167
|
|
|
|
-69.3223 -69.3161 -40.7406 -40.7298 -40.6915 -40.6915 -40.6829 -40.6828
|
|
-8.9474 -8.0535 -7.8451 -7.8451 -7.7594 -7.7594 -0.1300 -0.0964
|
|
0.6792 0.6794 0.9675 0.9676 1.0304 1.7689 2.1541 2.1543
|
|
2.3895 2.4729 2.4731 3.5598 3.5599 3.8700 4.0573 4.0573
|
|
7.0359 7.0562 7.0623 7.0754 7.3748 7.3803 7.9748 7.9749
|
|
8.2020 8.2021
|
|
|
|
KC interpolated eigenvalues at k= 0.1333 0.1333 0.1333
|
|
|
|
-69.3222 -69.3162 -40.7406 -40.7289 -40.6914 -40.6914 -40.6834 -40.6834
|
|
-8.9420 -8.0616 -7.8459 -7.8459 -7.7587 -7.7587 -0.1349 -0.0740
|
|
0.6787 0.6789 0.9838 0.9840 1.0402 1.7599 2.1377 2.1379
|
|
2.3997 2.4723 2.4726 3.5547 3.5547 3.8203 4.0535 4.0535
|
|
7.0329 7.0553 7.0620 7.0821 7.3777 7.3838 7.9656 7.9657
|
|
8.2050 8.2051
|
|
|
|
KC interpolated eigenvalues at k= 0.1500 0.1500 0.1500
|
|
|
|
-69.3222 -69.3163 -40.7407 -40.7278 -40.6913 -40.6913 -40.6840 -40.6839
|
|
-8.9360 -8.0706 -7.8467 -7.8467 -7.7580 -7.7580 -0.1406 -0.0480
|
|
0.6790 0.6792 1.0009 1.0011 1.0506 1.7507 2.1201 2.1203
|
|
2.4104 2.4716 2.4719 3.5487 3.5488 3.7650 4.0491 4.0492
|
|
7.0295 7.0544 7.0616 7.0898 7.3808 7.3875 7.9560 7.9561
|
|
8.2078 8.2079
|
|
|
|
KC interpolated eigenvalues at k= 0.1667 0.1667 0.1667
|
|
|
|
-69.3222 -69.3163 -40.7407 -40.7268 -40.6912 -40.6912 -40.6846 -40.6846
|
|
-8.9293 -8.0805 -7.8475 -7.8475 -7.7573 -7.7573 -0.1467 -0.0188
|
|
0.6802 0.6804 1.0183 1.0185 1.0612 1.7414 2.1017 2.1020
|
|
2.4214 2.4708 2.4711 3.5420 3.5421 3.7043 4.0444 4.0444
|
|
7.0257 7.0535 7.0612 7.0983 7.3841 7.3913 7.9463 7.9464
|
|
8.2102 8.2103
|
|
|
|
KC interpolated eigenvalues at k= 0.1833 0.1833 0.1833
|
|
|
|
-69.3221 -69.3164 -40.7407 -40.7256 -40.6911 -40.6911 -40.6852 -40.6852
|
|
-8.9220 -8.0912 -7.8484 -7.8484 -7.7565 -7.7565 -0.1529 0.0136
|
|
0.6825 0.6827 1.0357 1.0359 1.0719 1.7323 2.0829 2.0832
|
|
2.4324 2.4698 2.4702 3.5345 3.5346 3.6388 4.0391 4.0392
|
|
7.0217 7.0527 7.0608 7.1075 7.3875 7.3951 7.9365 7.9366
|
|
8.2121 8.2122
|
|
|
|
KC interpolated eigenvalues at k= 0.2000 0.2000 0.2000
|
|
|
|
-69.3221 -69.3165 -40.7407 -40.7244 -40.6910 -40.6910 -40.6859 -40.6859
|
|
-8.9142 -8.1026 -7.8493 -7.8493 -7.7557 -7.7557 -0.1591 0.0489
|
|
0.6859 0.6862 1.0526 1.0528 1.0825 1.7238 2.0643 2.0646
|
|
2.4432 2.4686 2.4690 3.5262 3.5263 3.5688 4.0334 4.0335
|
|
7.0175 7.0521 7.0605 7.1171 7.3910 7.3989 7.9268 7.9269
|
|
8.2137 8.2137
|
|
|
|
KC interpolated eigenvalues at k= 0.2167 0.2167 0.2167
|
|
|
|
-69.3220 -69.3166 -40.7407 -40.7231 -40.6909 -40.6909 -40.6866 -40.6866
|
|
-8.9058 -8.1147 -7.8503 -7.8503 -7.7549 -7.7549 -0.1652 0.0873
|
|
0.6905 0.6908 1.0687 1.0688 1.0927 1.7159 2.0464 2.0467
|
|
2.4536 2.4671 2.4674 3.4949 3.5173 3.5174 4.0274 4.0274
|
|
7.0131 7.0516 7.0602 7.1271 7.3945 7.4026 7.9173 7.9174
|
|
8.2147 8.2148
|
|
|
|
KC interpolated eigenvalues at k= 0.2333 0.2333 0.2333
|
|
|
|
-69.3220 -69.3167 -40.7407 -40.7218 -40.6908 -40.6908 -40.6873 -40.6873
|
|
-8.8970 -8.1273 -7.8512 -7.8512 -7.7541 -7.7541 -0.1712 0.1285
|
|
0.6964 0.6966 1.0834 1.0835 1.1024 1.7089 2.0295 2.0298
|
|
2.4633 2.4652 2.4656 3.4177 3.5077 3.5078 4.0210 4.0210
|
|
7.0086 7.0513 7.0600 7.1374 7.3980 7.4062 7.9081 7.9082
|
|
8.2152 8.2153
|
|
|
|
KC interpolated eigenvalues at k= 0.2500 0.2500 0.2500
|
|
|
|
-69.3220 -69.3168 -40.7407 -40.7205 -40.6908 -40.6908 -40.6879 -40.6879
|
|
-8.8878 -8.1403 -7.8521 -7.8521 -7.7533 -7.7533 -0.1769 0.1724
|
|
0.7035 0.7037 1.0963 1.0965 1.1113 1.7029 2.0143 2.0146
|
|
2.4628 2.4632 2.4718 3.3379 3.4976 3.4977 4.0143 4.0144
|
|
7.0040 7.0512 7.0598 7.1479 7.4014 7.4097 7.8993 7.8994
|
|
8.2153 8.2154
|
|
|
|
KC interpolated eigenvalues at k= 0.2667 0.2667 0.2667
|
|
|
|
-69.3219 -69.3169 -40.7407 -40.7192 -40.6909 -40.6908 -40.6885 -40.6885
|
|
-8.8782 -8.1537 -7.8530 -7.8530 -7.7526 -7.7526 -0.1823 0.2189
|
|
0.7118 0.7121 1.1070 1.1072 1.1195 1.6982 2.0013 2.0015
|
|
2.4599 2.4603 2.4789 3.2564 3.4871 3.4872 4.0074 4.0075
|
|
6.9995 7.0513 7.0598 7.1583 7.4048 7.4130 7.8909 7.8910
|
|
8.2150 8.2151
|
|
|
|
KC interpolated eigenvalues at k= 0.2833 0.2833 0.2833
|
|
|
|
-69.3218 -69.3170 -40.7407 -40.7179 -40.6911 -40.6910 -40.6889 -40.6889
|
|
-8.8684 -8.1674 -7.8539 -7.8539 -7.7518 -7.7518 -0.1873 0.2678
|
|
0.7214 0.7217 1.1151 1.1152 1.1268 1.6948 1.9908 1.9911
|
|
2.4564 2.4568 2.4838 3.1742 3.4762 3.4763 4.0004 4.0005
|
|
6.9950 7.0515 7.0599 7.1687 7.4079 7.4160 7.8830 7.8831
|
|
8.2142 8.2143
|
|
|
|
KC interpolated eigenvalues at k= 0.3000 0.3000 0.3000
|
|
|
|
-69.3218 -69.3171 -40.7407 -40.7167 -40.6914 -40.6914 -40.6892 -40.6891
|
|
-8.8584 -8.1811 -7.8547 -7.8547 -7.7511 -7.7511 -0.1920 0.3186
|
|
0.7323 0.7326 1.1202 1.1203 1.1332 1.6929 1.9832 1.9835
|
|
2.4523 2.4526 2.4857 3.0925 3.4652 3.4653 3.9934 3.9935
|
|
6.9907 7.0519 7.0600 7.1788 7.4110 7.4188 7.8756 7.8757
|
|
8.2132 8.2132
|
|
|
|
KC interpolated eigenvalues at k= 0.3167 0.3167 0.3167
|
|
|
|
-69.3217 -69.3172 -40.7407 -40.7155 -40.6919 -40.6919 -40.6893 -40.6892
|
|
-8.8483 -8.1948 -7.8555 -7.8555 -7.7504 -7.7504 -0.1962 0.3711
|
|
0.7444 0.7447 1.1220 1.1221 1.1387 1.6926 1.9788 1.9791
|
|
2.4474 2.4477 2.4835 3.0133 3.4542 3.4542 3.9864 3.9865
|
|
6.9864 7.0525 7.0602 7.1886 7.4138 7.4214 7.8688 7.8689
|
|
8.2118 8.2119
|
|
|
|
KC interpolated eigenvalues at k= 0.3333 0.3333 0.3333
|
|
|
|
-69.3217 -69.3173 -40.7407 -40.7143 -40.6925 -40.6924 -40.6893 -40.6892
|
|
-8.8383 -8.2082 -7.8563 -7.8563 -7.7497 -7.7497 -0.2000 0.4248
|
|
0.7577 0.7579 1.1205 1.1206 1.1434 1.6939 1.9776 1.9778
|
|
2.4418 2.4421 2.4753 2.9389 3.4433 3.4434 3.9796 3.9797
|
|
6.9824 7.0532 7.0605 7.1980 7.4165 7.4236 7.8626 7.8626
|
|
8.2102 8.2103
|
|
|
|
KC interpolated eigenvalues at k= 0.3500 0.3500 0.3500
|
|
|
|
-69.3216 -69.3174 -40.7407 -40.7132 -40.6930 -40.6930 -40.6892 -40.6892
|
|
-8.8284 -8.2213 -7.8570 -7.8570 -7.7492 -7.7492 -0.2034 0.4789
|
|
0.7721 0.7724 1.1157 1.1157 1.1475 1.6970 1.9795 1.9797
|
|
2.4355 2.4358 2.4587 2.8724 3.4327 3.4328 3.9731 3.9731
|
|
6.9786 7.0539 7.0608 7.2068 7.4189 7.4256 7.8569 7.8570
|
|
8.2085 8.2086
|
|
|
|
KC interpolated eigenvalues at k= 0.3667 0.3667 0.3667
|
|
|
|
-69.3216 -69.3175 -40.7407 -40.7122 -40.6936 -40.6936 -40.6892 -40.6891
|
|
-8.8188 -8.2339 -7.8577 -7.8577 -7.7486 -7.7486 -0.2064 0.5329
|
|
0.7876 0.7878 1.1077 1.1078 1.1510 1.7020 1.9840 1.9842
|
|
2.4286 2.4288 2.4313 2.8170 3.4227 3.4227 3.9668 3.9669
|
|
6.9751 7.0548 7.0610 7.2150 7.4212 7.4273 7.8519 7.8520
|
|
8.2067 8.2068
|
|
|
|
KC interpolated eigenvalues at k= 0.3833 0.3833 0.3833
|
|
|
|
-69.3215 -69.3176 -40.7407 -40.7113 -40.6941 -40.6941 -40.6891 -40.6891
|
|
-8.8098 -8.2456 -7.8582 -7.8582 -7.7481 -7.7481 -0.2090 0.5855
|
|
0.8040 0.8042 1.0970 1.0970 1.1542 1.7091 1.9908 1.9910
|
|
2.3919 2.4212 2.4214 2.7749 3.4133 3.4134 3.9611 3.9612
|
|
6.9719 7.0557 7.0613 7.2224 7.4232 7.4287 7.8475 7.8475
|
|
8.2050 8.2050
|
|
|
|
KC interpolated eigenvalues at k= 0.4000 0.4000 0.4000
|
|
|
|
-69.3214 -69.3177 -40.7407 -40.7105 -40.6945 -40.6945 -40.6890 -40.6890
|
|
-8.8014 -8.2565 -7.8588 -7.8588 -7.7477 -7.7477 -0.2112 0.6358
|
|
0.8212 0.8213 1.0839 1.0839 1.1572 1.7183 1.9992 1.9994
|
|
2.3419 2.4135 2.4137 2.7457 3.4048 3.4048 3.9559 3.9559
|
|
6.9690 7.0566 7.0615 7.2291 7.4250 7.4299 7.8437 7.8437
|
|
8.2033 8.2033
|
|
|
|
KC interpolated eigenvalues at k= 0.4167 0.4167 0.4167
|
|
|
|
-69.3214 -69.3178 -40.7407 -40.7097 -40.6949 -40.6949 -40.6890 -40.6889
|
|
-8.7938 -8.2661 -7.8592 -7.8592 -7.7473 -7.7473 -0.2130 0.6822
|
|
0.8389 0.8390 1.0689 1.0690 1.1601 1.7298 2.0085 2.0086
|
|
2.2855 2.4058 2.4059 2.7267 3.3973 3.3973 3.9513 3.9514
|
|
6.9665 7.0575 7.0617 7.2348 7.4266 7.4308 7.8405 7.8405
|
|
8.2017 8.2017
|
|
|
|
KC interpolated eigenvalues at k= 0.4333 0.4333 0.4333
|
|
|
|
-69.3214 -69.3178 -40.7407 -40.7092 -40.6953 -40.6953 -40.6889 -40.6889
|
|
-8.7873 -8.2744 -7.8596 -7.8596 -7.7470 -7.7470 -0.2145 0.7232
|
|
0.8567 0.8568 1.0528 1.0529 1.1631 1.7436 2.0177 2.0179
|
|
2.2274 2.3985 2.3986 2.7149 3.3910 3.3910 3.9474 3.9475
|
|
6.9645 7.0584 7.0618 7.2396 7.4280 7.4314 7.8379 7.8379
|
|
8.2003 8.2003
|
|
|
|
KC interpolated eigenvalues at k= 0.4500 0.4500 0.4500
|
|
|
|
-69.3213 -69.3179 -40.7407 -40.7087 -40.6955 -40.6955 -40.6889 -40.6889
|
|
-8.7820 -8.2810 -7.8598 -7.8598 -7.7468 -7.7468 -0.2156 0.7573
|
|
0.8740 0.8741 1.0365 1.0366 1.1659 1.7591 2.0262 2.0263
|
|
2.1726 2.3921 2.3922 2.7077 3.3859 3.3859 3.9444 3.9444
|
|
6.9629 7.0592 7.0618 7.2434 7.4292 7.4318 7.8359 7.8359
|
|
8.1992 8.1992
|
|
|
|
KC interpolated eigenvalues at k= 0.4667 0.4667 0.4667
|
|
|
|
-69.3213 -69.3179 -40.7407 -40.7084 -40.6957 -40.6957 -40.6888 -40.6888
|
|
-8.7781 -8.2860 -7.8601 -7.8601 -7.7466 -7.7466 -0.2163 0.7828
|
|
0.8898 0.8898 1.0214 1.0214 1.1684 1.7747 2.0329 2.0330
|
|
2.1262 2.3870 2.3871 2.7036 3.3822 3.3823 3.9421 3.9422
|
|
6.9617 7.0599 7.0617 7.2462 7.4302 7.4319 7.8345 7.8345
|
|
8.1983 8.1983
|
|
|
|
KC interpolated eigenvalues at k= 0.4833 0.4833 0.4833
|
|
|
|
-69.3213 -69.3180 -40.7407 -40.7081 -40.6958 -40.6958 -40.6888 -40.6888
|
|
-8.7757 -8.2890 -7.8602 -7.8602 -7.7465 -7.7465 -0.2168 0.7986
|
|
0.9016 0.9017 1.0098 1.0098 1.1701 1.7872 2.0373 2.0374
|
|
2.0941 2.3837 2.3838 2.7014 3.3800 3.3800 3.9408 3.9408
|
|
6.9610 7.0605 7.0614 7.2478 7.4309 7.4318 7.8336 7.8336
|
|
8.1978 8.1978
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.5000 0.5000
|
|
|
|
-69.3213 -69.3180 -40.7407 -40.7081 -40.6959 -40.6959 -40.6888 -40.6888
|
|
-8.7749 -8.2900 -7.8602 -7.8602 -7.7465 -7.7465 -0.2170 0.8040
|
|
0.9063 0.9064 1.0052 1.0053 1.1707 1.7921 2.0388 2.0389
|
|
2.0825 2.3826 2.3826 2.7007 3.3792 3.3793 3.9403 3.9404
|
|
6.9607 7.0610 7.0610 7.2484 7.4315 7.4315 7.8334 7.8334
|
|
8.1976 8.1976
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4833 0.4833
|
|
|
|
-69.3213 -69.3180 -40.7407 -40.7082 -40.6959 -40.6959 -40.6888 -40.6888
|
|
-8.7747 -8.2891 -7.8613 -7.8605 -7.7465 -7.7462 -0.2176 0.7979
|
|
0.9031 0.9074 1.0023 1.0097 1.1774 1.7933 2.0287 2.0356
|
|
2.0962 2.3832 2.3844 2.7039 3.3786 3.3794 3.9370 3.9396
|
|
6.9605 7.0612 7.0620 7.2449 7.4312 7.4338 7.8332 7.8339
|
|
8.1965 8.1980
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4667 0.4667
|
|
|
|
-69.3213 -69.3180 -40.7408 -40.7084 -40.6959 -40.6959 -40.6888 -40.6886
|
|
-8.7741 -8.2866 -7.8646 -7.8615 -7.7466 -7.7456 -0.2193 0.7806
|
|
0.8936 0.9113 0.9953 1.0210 1.1959 1.7972 2.0107 2.0268
|
|
2.1244 2.3847 2.3896 2.7133 3.3766 3.3800 3.9268 3.9372
|
|
6.9597 7.0619 7.0645 7.2351 7.4306 7.4404 7.8328 7.8356
|
|
8.1932 8.1990
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4500 0.4500
|
|
|
|
-69.3213 -69.3181 -40.7408 -40.7088 -40.6960 -40.6960 -40.6889 -40.6884
|
|
-8.7731 -8.2825 -7.8701 -7.8630 -7.7469 -7.7445 -0.2220 0.7547
|
|
0.8782 0.9186 0.9878 1.0355 1.2224 1.8045 1.9907 2.0145
|
|
2.1590 2.3869 2.3980 2.7286 3.3734 3.3809 3.9100 3.9334
|
|
6.9582 7.0632 7.0686 7.2203 7.4296 7.4498 7.8321 7.8384
|
|
8.1878 8.2006
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4333 0.4333
|
|
|
|
-69.3214 -69.3182 -40.7409 -40.7094 -40.6961 -40.6960 -40.6890 -40.6881
|
|
-8.7717 -8.2768 -7.8775 -7.8651 -7.7474 -7.7431 -0.2254 0.7235
|
|
0.8576 0.9279 0.9819 1.0515 1.2541 1.8159 1.9680 2.0014
|
|
2.1980 2.3891 2.4091 2.7491 3.3692 3.3820 3.8868 3.9280
|
|
6.9559 7.0653 7.0743 7.2019 7.4282 7.4607 7.8314 7.8423
|
|
8.1803 8.2028
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4167 0.4167
|
|
|
|
-69.3214 -69.3183 -40.7410 -40.7101 -40.6962 -40.6961 -40.6890 -40.6878
|
|
-8.7698 -8.2695 -7.8867 -7.8676 -7.7481 -7.7416 -0.2292 0.6893
|
|
0.8331 0.9372 0.9780 1.0692 1.2891 1.8312 1.9428 1.9894
|
|
2.2405 2.3909 2.4230 2.7740 3.3641 3.3833 3.8574 3.9212
|
|
6.9528 7.0682 7.0814 7.1815 7.4264 7.4722 7.8306 7.8473
|
|
8.1709 8.2054
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.4000 0.4000
|
|
|
|
-69.3214 -69.3185 -40.7411 -40.7109 -40.6963 -40.6962 -40.6891 -40.6873
|
|
-8.7674 -8.2608 -7.8977 -7.8704 -7.7492 -7.7400 -0.2329 0.6537
|
|
0.8058 0.9438 0.9758 1.0898 1.3262 1.8469 1.9189 1.9790
|
|
2.2854 2.3918 2.4394 2.8023 3.3584 3.3845 3.8223 3.9129
|
|
6.9486 7.0721 7.0892 7.1603 7.4242 7.4834 7.8301 7.8532
|
|
8.1597 8.2083
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3833 0.3833
|
|
|
|
-69.3215 -69.3186 -40.7412 -40.7118 -40.6964 -40.6962 -40.6892 -40.6868
|
|
-8.7645 -8.2507 -7.9103 -7.8735 -7.7508 -7.7383 -0.2363 0.6180
|
|
0.7769 0.9464 0.9751 1.1143 1.3647 1.8477 1.9108 1.9716
|
|
2.3316 2.3919 2.4583 2.8328 3.3524 3.3855 3.7820 3.9034
|
|
6.9434 7.0768 7.0959 7.1411 7.4217 7.4941 7.8299 7.8601
|
|
8.1471 8.2114
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3667 0.3667
|
|
|
|
-69.3215 -69.3188 -40.7412 -40.7128 -40.6965 -40.6962 -40.6893 -40.6863
|
|
-8.7610 -8.2393 -7.9243 -7.8767 -7.7527 -7.7368 -0.2390 0.5830
|
|
0.7472 0.9445 0.9758 1.1425 1.4041 1.8243 1.9220 1.9734
|
|
2.3744 2.3947 2.4798 2.8644 3.3461 3.3861 3.7373 3.8927
|
|
6.9371 7.0813 7.0946 7.1321 7.4189 7.5037 7.8303 7.8678
|
|
8.1331 8.2145
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3500 0.3500
|
|
|
|
-69.3215 -69.3189 -40.7412 -40.7139 -40.6966 -40.6962 -40.6893 -40.6856
|
|
-8.7568 -8.2267 -7.9397 -7.8801 -7.7551 -7.7355 -0.2409 0.5491
|
|
0.7171 0.9389 0.9778 1.1733 1.4441 1.7924 1.9250 1.9960
|
|
2.3826 2.4306 2.5040 2.8957 3.3394 3.3863 3.6897 3.8808
|
|
6.9300 7.0731 7.0931 7.1384 7.4157 7.5123 7.8314 7.8761
|
|
8.1182 8.2176
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3333 0.3333
|
|
|
|
-69.3215 -69.3190 -40.7412 -40.7151 -40.6967 -40.6961 -40.6894 -40.6850
|
|
-8.7519 -8.2130 -7.9563 -7.8834 -7.7580 -7.7345 -0.2419 0.5170
|
|
0.6871 0.9309 0.9811 1.2051 1.4846 1.7594 1.9182 2.0341
|
|
2.3785 2.4763 2.5313 2.9253 3.3313 3.3860 3.6410 3.8680
|
|
6.9219 7.0523 7.1003 7.1511 7.4122 7.5197 7.8333 7.8848
|
|
8.1027 8.2206
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3167 0.3167
|
|
|
|
-69.3215 -69.3191 -40.7412 -40.7162 -40.6968 -40.6960 -40.6894 -40.6843
|
|
-8.7463 -8.1984 -7.9739 -7.8868 -7.7612 -7.7338 -0.2418 0.4870
|
|
0.6575 0.9216 0.9855 1.2362 1.5253 1.7281 1.9078 2.0787
|
|
2.3723 2.5199 2.5627 2.9518 3.3195 3.3860 3.5944 3.8545
|
|
6.9131 7.0297 7.1093 7.1663 7.4086 7.5260 7.8362 7.8936
|
|
8.0870 8.2232
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.3000 0.3000
|
|
|
|
-69.3215 -69.3192 -40.7411 -40.7174 -40.6969 -40.6958 -40.6894 -40.6835
|
|
-8.7399 -8.1830 -7.9926 -7.8900 -7.7649 -7.7336 -0.2409 0.4596
|
|
0.6286 0.9123 0.9911 1.2645 1.5656 1.7009 1.8958 2.1263
|
|
2.3651 2.5592 2.5990 2.9739 3.2994 3.3873 3.5547 3.8404
|
|
6.9037 7.0073 7.1194 7.1827 7.4046 7.5310 7.8402 7.9021
|
|
8.0719 8.2253
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2833 0.2833
|
|
|
|
-69.3215 -69.3192 -40.7409 -40.7186 -40.6969 -40.6956 -40.6894 -40.6827
|
|
-8.7327 -8.1668 -8.0121 -7.8931 -7.7689 -7.7339 -0.2391 0.4349
|
|
0.6005 0.9037 0.9979 1.2876 1.6037 1.6818 1.8826 2.1747
|
|
2.3579 2.5942 2.6391 2.9907 3.2665 3.3906 3.5266 3.8259
|
|
6.8938 6.9856 7.1303 7.2001 7.4006 7.5350 7.8454 7.9096
|
|
8.0580 8.2270
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2667 0.2667
|
|
|
|
-69.3214 -69.3192 -40.7407 -40.7198 -40.6970 -40.6954 -40.6894 -40.6819
|
|
-8.7247 -8.1503 -8.0322 -7.8960 -7.7733 -7.7348 -0.2368 0.4133
|
|
0.5733 0.8968 1.0057 1.3032 1.6315 1.6811 1.8685 2.2206
|
|
2.3530 2.6268 2.6799 3.0017 3.2204 3.3953 3.5126 3.8115
|
|
6.8834 6.9649 7.1419 7.2180 7.3964 7.5379 7.8518 7.9151
|
|
8.0466 8.2280
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2500 0.2500
|
|
|
|
-69.3214 -69.3191 -40.7404 -40.7209 -40.6970 -40.6951 -40.6893 -40.6811
|
|
-8.7159 -8.1336 -8.0525 -7.8987 -7.7778 -7.7364 -0.2342 0.3948
|
|
0.5473 0.8923 1.0144 1.3098 1.6408 1.7078 1.8540 2.2570
|
|
2.3568 2.6581 2.7184 3.0065 3.1655 3.3993 3.5115 3.7974
|
|
6.8727 6.9456 7.1541 7.2361 7.3922 7.5399 7.8594 7.9173
|
|
8.0389 8.2284
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2333 0.2333
|
|
|
|
-69.3213 -69.3190 -40.7401 -40.7219 -40.6970 -40.6948 -40.6892 -40.6802
|
|
-8.7062 -8.1184 -8.0715 -7.9011 -7.7826 -7.7386 -0.2316 0.3797
|
|
0.5225 0.8906 1.0237 1.3075 1.6482 1.7438 1.8408 2.2731
|
|
2.3793 2.6878 2.7520 3.0038 3.1102 3.4015 3.5201 3.7843
|
|
6.8616 6.9278 7.1668 7.2542 7.3881 7.5411 7.8680 7.9156
|
|
8.0359 8.2279
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2167 0.2167
|
|
|
|
-69.3212 -69.3188 -40.7397 -40.7230 -40.6969 -40.6944 -40.6890 -40.6793
|
|
-8.6957 -8.1128 -8.0811 -7.9033 -7.7875 -7.7415 -0.2293 0.3677
|
|
0.4989 0.8925 1.0332 1.2986 1.6599 1.7747 1.8353 2.2712
|
|
2.4171 2.7140 2.7772 2.9882 3.0688 3.4018 3.5343 3.7727
|
|
6.8502 6.9118 7.1798 7.2719 7.3841 7.5416 7.8772 7.9103
|
|
8.0378 8.2266
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.2000 0.2000
|
|
|
|
-69.3211 -69.3186 -40.7392 -40.7239 -40.6968 -40.6940 -40.6888 -40.6785
|
|
-8.6844 -8.1273 -8.0707 -7.9052 -7.7925 -7.7452 -0.2274 0.3588
|
|
0.4767 0.8981 1.0420 1.2866 1.6735 1.7836 1.8539 2.2614
|
|
2.4582 2.7302 2.7924 2.9601 3.0528 3.4007 3.5505 3.7637
|
|
6.8386 6.8975 7.1930 7.2888 7.3805 7.5415 7.8845 7.9049
|
|
8.0434 8.2244
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1833 0.1833
|
|
|
|
-69.3210 -69.3184 -40.7387 -40.7248 -40.6968 -40.6936 -40.6887 -40.6776
|
|
-8.6723 -8.1483 -8.0540 -7.9068 -7.7975 -7.7496 -0.2261 0.3527
|
|
0.4561 0.9078 1.0491 1.2753 1.6833 1.7802 1.8900 2.2484
|
|
2.4938 2.7224 2.8071 2.9375 3.0539 3.3990 3.5653 3.7582
|
|
6.8271 6.8849 7.2062 7.3045 7.3774 7.5409 7.8816 7.9088
|
|
8.0516 8.2212
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1667 0.1667
|
|
|
|
-69.3209 -69.3182 -40.7381 -40.7257 -40.6966 -40.6932 -40.6885 -40.6768
|
|
-8.6596 -8.1705 -8.0360 -7.9082 -7.8024 -7.7549 -0.2256 0.3489
|
|
0.4369 0.9216 1.0531 1.2682 1.6827 1.7827 1.9301 2.2338
|
|
2.5114 2.6988 2.8284 2.9243 3.0645 3.3972 3.5762 3.7573
|
|
6.8157 6.8740 7.2194 7.3182 7.3755 7.5401 7.8713 7.9202
|
|
8.0612 8.2171
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1500 0.1500
|
|
|
|
-69.3208 -69.3179 -40.7375 -40.7264 -40.6965 -40.6928 -40.6882 -40.6760
|
|
-8.6462 -8.1930 -8.0178 -7.9093 -7.8072 -7.7610 -0.2257 0.3469
|
|
0.4196 0.9391 1.0532 1.2680 1.6700 1.7947 1.9705 2.2182
|
|
2.4929 2.6924 2.8520 2.9141 3.0805 3.3957 3.5819 3.7614
|
|
6.8049 6.8646 7.2324 7.3289 7.3755 7.5391 7.8596 7.9338
|
|
8.0714 8.2120
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1333 0.1333
|
|
|
|
-69.3206 -69.3176 -40.7369 -40.7271 -40.6964 -40.6924 -40.6880 -40.6752
|
|
-8.6323 -8.2154 -7.9996 -7.9101 -7.8118 -7.7679 -0.2264 0.3462
|
|
0.4041 0.9591 1.0498 1.2761 1.6497 1.8118 2.0099 2.2019
|
|
2.4411 2.7098 2.8730 2.9062 3.0982 3.3953 3.5822 3.7698
|
|
6.7947 6.8565 7.2451 7.3357 7.3782 7.5380 7.8480 7.9484
|
|
8.0816 8.2059
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1167 0.1167
|
|
|
|
-69.3205 -69.3174 -40.7362 -40.7278 -40.6963 -40.6920 -40.6878 -40.6745
|
|
-8.6181 -8.2373 -7.9816 -7.9108 -7.8161 -7.7756 -0.2275 0.3462
|
|
0.3907 0.9789 1.0463 1.2924 1.6256 1.8296 2.0472 2.1848
|
|
2.3759 2.7355 2.8793 2.9127 3.1142 3.3967 3.5782 3.7809
|
|
6.7854 6.8496 7.2572 7.3383 7.3835 7.5371 7.8371 7.9634
|
|
8.0915 8.1988
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.1000 0.1000
|
|
|
|
-69.3204 -69.3171 -40.7356 -40.7284 -40.6961 -40.6916 -40.6876 -40.6739
|
|
-8.6038 -8.2584 -7.9640 -7.9112 -7.8201 -7.7840 -0.2290 0.3459
|
|
0.3800 0.9913 1.0505 1.3155 1.6000 1.8453 2.0806 2.1663
|
|
2.3105 2.7587 2.8737 2.9336 3.1263 3.4006 3.5710 3.7932
|
|
6.7771 6.8438 7.2686 7.3382 7.3901 7.5362 7.8272 7.9786
|
|
8.1007 8.1910
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0833 0.0833
|
|
|
|
-69.3203 -69.3169 -40.7350 -40.7290 -40.6960 -40.6913 -40.6874 -40.6733
|
|
-8.5898 -8.2784 -7.9470 -7.9114 -7.8236 -7.7931 -0.2305 0.3444
|
|
0.3726 0.9911 1.0681 1.3441 1.5748 1.8559 2.1071 2.1456
|
|
2.2556 2.7730 2.8714 2.9573 3.1326 3.4073 3.5619 3.8052
|
|
6.7700 6.8390 7.2793 7.3365 7.3965 7.5356 7.8186 7.9935
|
|
8.1091 8.1824
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0667 0.0667
|
|
|
|
-69.3202 -69.3167 -40.7343 -40.7295 -40.6959 -40.6910 -40.6872 -40.6729
|
|
-8.5765 -8.2965 -7.9308 -7.9115 -7.8266 -7.8027 -0.2320 0.3414
|
|
0.3687 0.9844 1.0925 1.3759 1.5517 1.8576 2.1136 2.1292
|
|
2.2231 2.7757 2.8763 2.9819 3.1327 3.4166 3.5515 3.8159
|
|
6.7640 6.8352 7.2891 7.3340 7.4020 7.5353 7.8113 8.0077
|
|
8.1165 8.1734
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0500 0.0500
|
|
|
|
-69.3201 -69.3165 -40.7337 -40.7301 -40.6958 -40.6908 -40.6871 -40.6725
|
|
-8.5646 -8.3123 -7.9158 -7.9115 -7.8291 -7.8126 -0.2333 0.3376
|
|
0.3673 0.9768 1.1171 1.4073 1.5339 1.8469 2.0937 2.1244
|
|
2.2176 2.7707 2.8854 3.0071 3.1265 3.4278 3.5405 3.8248
|
|
6.7594 6.8323 7.2978 7.3310 7.4062 7.5351 7.8056 8.0204
|
|
8.1229 8.1643
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0333 0.0333
|
|
|
|
-69.3200 -69.3164 -40.7332 -40.7305 -40.6957 -40.6906 -40.6870 -40.6722
|
|
-8.5550 -8.3247 -7.9116 -7.9025 -7.8311 -7.8219 -0.2344 0.3342
|
|
0.3671 0.9705 1.1382 1.4314 1.5267 1.8250 2.0809 2.1133
|
|
2.2252 2.7636 2.8939 3.0322 3.1149 3.4393 3.5299 3.8314
|
|
6.7560 6.8302 7.3055 7.3275 7.4091 7.5351 7.8015 8.0309
|
|
8.1286 8.1555
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0167 0.0167
|
|
|
|
-69.3200 -69.3163 -40.7328 -40.7309 -40.6957 -40.6905 -40.6870 -40.6721
|
|
-8.5486 -8.3327 -7.9116 -7.8925 -7.8329 -7.8289 -0.2350 0.3319
|
|
0.3672 0.9664 1.1524 1.4419 1.5318 1.8018 2.0789 2.1015
|
|
2.2329 2.7581 2.8996 3.0564 3.0987 3.4487 3.5214 3.8354
|
|
6.7540 6.8289 7.3120 7.3235 7.4109 7.5351 7.7990 8.0379
|
|
8.1337 8.1479
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0000
|
|
|
|
-69.3200 -69.3163 -40.7326 -40.7311 -40.6957 -40.6905 -40.6869 -40.6720
|
|
-8.5463 -8.3355 -7.9115 -7.8886 -7.8346 -7.8308 -0.2352 0.3311
|
|
0.3673 0.9650 1.1575 1.4438 1.5367 1.7915 2.0810 2.0950
|
|
2.2359 2.7561 2.9016 3.0778 3.0801 3.4525 3.5179 3.8368
|
|
6.7533 6.8285 7.3160 7.3203 7.4114 7.5351 7.7981 8.0404
|
|
8.1371 8.1434
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0167
|
|
|
|
-69.3200 -69.3163 -40.7326 -40.7311 -40.6957 -40.6905 -40.6869 -40.6721
|
|
-8.5465 -8.3348 -7.9124 -7.8897 -7.8349 -7.8292 -0.2341 0.3323
|
|
0.3675 0.9649 1.1566 1.4409 1.5316 1.7961 2.0818 2.0956
|
|
2.2366 2.7577 2.9017 3.0643 3.0929 3.4502 3.5189 3.8356
|
|
6.7538 6.8289 7.3121 7.3227 7.4118 7.5352 7.7984 8.0402
|
|
8.1331 8.1465
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0333
|
|
|
|
-69.3200 -69.3164 -40.7328 -40.7310 -40.6958 -40.6905 -40.6869 -40.6722
|
|
-8.5468 -8.3325 -7.9148 -7.8927 -7.8355 -7.8254 -0.2308 0.3357
|
|
0.3684 0.9645 1.1537 1.4311 1.5194 1.8080 2.0840 2.0973
|
|
2.2387 2.7627 2.9020 3.0497 3.1059 3.4437 3.5215 3.8320
|
|
6.7553 6.8300 7.3054 7.3247 7.4130 7.5355 7.7993 8.0395
|
|
8.1263 8.1507
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0500
|
|
|
|
-69.3200 -69.3165 -40.7331 -40.7308 -40.6959 -40.6905 -40.6869 -40.6725
|
|
-8.5474 -8.3288 -7.9190 -7.8969 -7.8361 -7.8201 -0.2252 0.3410
|
|
0.3701 0.9637 1.1491 1.4124 1.5066 1.8233 2.0875 2.0999
|
|
2.2421 2.7708 2.9024 3.0353 3.1175 3.4339 3.5249 3.8262
|
|
6.7579 6.8317 7.2973 7.3252 7.4147 7.5360 7.8008 8.0383
|
|
8.1185 8.1541
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0667
|
|
|
|
-69.3201 -69.3167 -40.7335 -40.7307 -40.6960 -40.6906 -40.6868 -40.6729
|
|
-8.5481 -8.3237 -7.9249 -7.9014 -7.8367 -7.8141 -0.2175 0.3476
|
|
0.3731 0.9622 1.1428 1.3845 1.4975 1.8386 2.0922 2.1034
|
|
2.2469 2.7814 2.9030 3.0216 3.1273 3.4217 3.5286 3.8181
|
|
6.7614 6.8341 7.2884 7.3240 7.4170 7.5367 7.8028 8.0363
|
|
8.1103 8.1567
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.0833
|
|
|
|
-69.3201 -69.3169 -40.7339 -40.7306 -40.6962 -40.6907 -40.6867 -40.6734
|
|
-8.5488 -8.3174 -7.9322 -7.9059 -7.8376 -7.8077 -0.2078 0.3540
|
|
0.3788 0.9599 1.1351 1.3507 1.4922 1.8519 2.0976 2.1075
|
|
2.2529 2.7938 2.9041 3.0093 3.1348 3.4076 3.5320 3.8081
|
|
6.7657 6.8371 7.2788 7.3212 7.4195 7.5374 7.8054 8.0334
|
|
8.1021 8.1583
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1000
|
|
|
|
-69.3202 -69.3171 -40.7343 -40.7306 -40.6964 -40.6909 -40.6866 -40.6740
|
|
-8.5495 -8.3100 -7.9408 -7.9105 -7.8387 -7.8012 -0.1962 0.3583
|
|
0.3887 0.9562 1.1263 1.3145 1.4897 1.8623 2.1033 2.1120
|
|
2.2598 2.8063 2.9061 2.9990 3.1397 3.3924 3.5351 3.7962
|
|
6.7710 6.8405 7.2687 7.3170 7.4221 7.5382 7.8084 8.0291
|
|
8.0941 8.1589
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1167
|
|
|
|
-69.3203 -69.3174 -40.7347 -40.7305 -40.6967 -40.6911 -40.6864 -40.6746
|
|
-8.5500 -8.3017 -7.9501 -7.9152 -7.8401 -7.7947 -0.1828 0.3603
|
|
0.4029 0.9508 1.1167 1.2789 1.4891 1.8698 2.1088 2.1166
|
|
2.2674 2.8167 2.9103 2.9913 3.1414 3.3765 3.5378 3.7829
|
|
6.7769 6.8442 7.2585 7.3117 7.4246 7.5391 7.8119 8.0230
|
|
8.0871 8.1588
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1333
|
|
|
|
-69.3204 -69.3177 -40.7352 -40.7305 -40.6969 -40.6914 -40.6862 -40.6753
|
|
-8.5503 -8.2927 -7.9600 -7.9198 -7.8418 -7.7885 -0.1679 0.3606
|
|
0.4203 0.9435 1.1062 1.2461 1.4900 1.8745 2.1134 2.1215
|
|
2.2755 2.8222 2.9176 2.9868 3.1396 3.3604 3.5402 3.7683
|
|
6.7836 6.8482 7.2482 7.3054 7.4269 7.5400 7.8156 8.0149
|
|
8.0814 8.1578
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1500
|
|
|
|
-69.3205 -69.3180 -40.7356 -40.7305 -40.6972 -40.6917 -40.6861 -40.6761
|
|
-8.5502 -8.2832 -7.9703 -7.9245 -7.8438 -7.7825 -0.1518 0.3596
|
|
0.4404 0.9342 1.0945 1.2180 1.4925 1.8771 2.1164 2.1267
|
|
2.2836 2.8218 2.9273 2.9867 3.1339 3.3447 3.5423 3.7530
|
|
6.7907 6.8523 7.2381 7.2984 7.4290 7.5408 7.8197 8.0048
|
|
8.0771 8.1561
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1667
|
|
|
|
-69.3206 -69.3184 -40.7361 -40.7306 -40.6975 -40.6920 -40.6860 -40.6768
|
|
-8.5498 -8.2732 -7.9807 -7.9291 -7.8462 -7.7769 -0.1348 0.3575
|
|
0.4627 0.9232 1.0808 1.1963 1.4965 1.8779 2.1176 2.1322
|
|
2.2917 2.8161 2.9363 2.9918 3.1242 3.3299 3.5440 3.7374
|
|
6.7983 6.8563 7.2284 7.2909 7.4306 7.5415 7.8239 7.9930
|
|
8.0740 8.1537
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.1833
|
|
|
|
-69.3208 -69.3188 -40.7366 -40.7306 -40.6979 -40.6924 -40.6859 -40.6775
|
|
-8.5489 -8.2632 -7.9911 -7.9337 -7.8489 -7.7718 -0.1175 0.3543
|
|
0.4871 0.9115 1.0642 1.1821 1.5021 1.8775 2.1169 2.1379
|
|
2.2995 2.8066 2.9418 3.0018 3.1109 3.3163 3.5455 3.7222
|
|
6.8060 6.8601 7.2191 7.2831 7.4320 7.5422 7.8281 7.9799
|
|
8.0719 8.1508
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2000
|
|
|
|
-69.3209 -69.3192 -40.7371 -40.7308 -40.6982 -40.6928 -40.6860 -40.6780
|
|
-8.5475 -8.2533 -8.0014 -7.9381 -7.8519 -7.7670 -0.1002 0.3502
|
|
0.5131 0.9000 1.0450 1.1749 1.5094 1.8761 2.1144 2.1436
|
|
2.3068 2.7945 2.9436 3.0140 3.0944 3.3043 3.5465 3.7081
|
|
6.8138 6.8636 7.2106 7.2752 7.4329 7.5427 7.8321 7.9660
|
|
8.0705 8.1475
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2167
|
|
|
|
-69.3211 -69.3196 -40.7375 -40.7309 -40.6986 -40.6932 -40.6863 -40.6784
|
|
-8.5456 -8.2439 -8.0111 -7.9424 -7.8553 -7.7628 -0.0838 0.3458
|
|
0.5406 0.8898 1.0240 1.1736 1.5186 1.8740 2.1102 2.1490
|
|
2.3137 2.7807 2.9423 3.0248 3.0760 3.2943 3.5468 3.6960
|
|
6.8214 6.8668 7.2029 7.2675 7.4334 7.5431 7.8358 7.9519
|
|
8.0695 8.1438
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2333
|
|
|
|
-69.3212 -69.3200 -40.7380 -40.7310 -40.6990 -40.6936 -40.6868 -40.6787
|
|
-8.5431 -8.2351 -8.0202 -7.9464 -7.8589 -7.7591 -0.0690 0.3416
|
|
0.5694 0.8817 1.0021 1.1765 1.5298 1.8715 2.1044 2.1542
|
|
2.3199 2.7653 2.9380 3.0310 3.0576 3.2865 3.5459 3.6868
|
|
6.8285 6.8695 7.1960 7.2601 7.4336 7.5433 7.8388 7.9381
|
|
8.0687 8.1400
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2500
|
|
|
|
-69.3214 -69.3205 -40.7385 -40.7312 -40.6994 -40.6940 -40.6874 -40.6787
|
|
-8.5402 -8.2275 -8.0282 -7.9502 -7.8627 -7.7559 -0.0567 0.3386
|
|
0.5991 0.8763 0.9801 1.1827 1.5430 1.8687 2.0973 2.1589
|
|
2.3255 2.7485 2.9303 3.0288 3.0429 3.2814 3.5432 3.6816
|
|
6.8350 6.8719 7.1901 7.2533 7.4334 7.5434 7.8405 7.9254
|
|
8.0679 8.1363
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2667
|
|
|
|
-69.3216 -69.3208 -40.7389 -40.7314 -40.6998 -40.6944 -40.6882 -40.6786
|
|
-8.5366 -8.2215 -8.0347 -7.9537 -7.8667 -7.7532 -0.0476 0.3375
|
|
0.6295 0.8738 0.9585 1.1912 1.5583 1.8657 2.0889 2.1631
|
|
2.3303 2.7301 2.9186 3.0173 3.0338 3.2788 3.5384 3.6807
|
|
6.8405 6.8739 7.1853 7.2472 7.4330 7.5433 7.8401 7.9148
|
|
8.0668 8.1327
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.2833
|
|
|
|
-69.3219 -69.3212 -40.7393 -40.7316 -40.7002 -40.6948 -40.6891 -40.6784
|
|
-8.5326 -8.2174 -8.0395 -7.9569 -7.8709 -7.7510 -0.0424 0.3392
|
|
0.6602 0.8741 0.9376 1.2016 1.5760 1.8625 2.0797 2.1665
|
|
2.3343 2.7096 2.9035 3.0042 3.0235 3.2785 3.5312 3.6843
|
|
6.8448 6.8757 7.1815 7.2419 7.4323 7.5431 7.8369 7.9072
|
|
8.0654 8.1296
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3000
|
|
|
|
-69.3222 -69.3214 -40.7397 -40.7318 -40.7006 -40.6951 -40.6901 -40.6781
|
|
-8.5281 -8.2155 -8.0421 -7.9598 -7.8752 -7.7493 -0.0412 0.3440
|
|
0.6909 0.8769 0.9177 1.2135 1.5960 1.8588 2.0701 2.1691
|
|
2.3373 2.6864 2.8862 2.9902 3.0116 3.2800 3.5220 3.6918
|
|
6.8479 6.8773 7.1788 7.2375 7.4313 7.5428 7.8304 7.9032
|
|
8.0634 8.1270
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3167
|
|
|
|
-69.3225 -69.3216 -40.7401 -40.7320 -40.7011 -40.6955 -40.6910 -40.6778
|
|
-8.5231 -8.2160 -8.0425 -7.9624 -7.8795 -7.7481 -0.0438 0.3519
|
|
0.7212 0.8816 0.8993 1.2267 1.6183 1.8546 2.0607 2.1707
|
|
2.3395 2.6602 2.8686 2.9727 3.0016 3.2827 3.5112 3.7022
|
|
6.8496 6.8786 7.1772 7.2338 7.4302 7.5424 7.8214 7.9023
|
|
8.0607 8.1251
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3333
|
|
|
|
-69.3229 -69.3218 -40.7404 -40.7322 -40.7015 -40.6958 -40.6920 -40.6774
|
|
-8.5177 -8.2188 -8.0408 -7.9647 -7.8838 -7.7474 -0.0496 0.3623
|
|
0.7507 0.8790 0.8913 1.2409 1.6430 1.8494 2.0520 2.1710
|
|
2.3407 2.6306 2.8522 2.9514 2.9941 3.2861 3.4993 3.7146
|
|
6.8503 6.8795 7.1767 7.2310 7.4289 7.5419 7.8108 7.9034
|
|
8.0574 8.1239
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3500
|
|
|
|
-69.3232 -69.3219 -40.7408 -40.7324 -40.7019 -40.6961 -40.6929 -40.6771
|
|
-8.5120 -8.2234 -8.0374 -7.9668 -7.8881 -7.7471 -0.0577 0.3746
|
|
0.7791 0.8637 0.8986 1.2560 1.6700 1.8429 2.0448 2.1698
|
|
2.3411 2.5977 2.8376 2.9283 2.9882 3.2902 3.4867 3.7280
|
|
6.8502 6.8799 7.1773 7.2287 7.4276 7.5413 7.7997 7.9059
|
|
8.0535 8.1234
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3667
|
|
|
|
-69.3235 -69.3221 -40.7410 -40.7326 -40.7022 -40.6963 -40.6938 -40.6768
|
|
-8.5061 -8.2295 -8.0326 -7.9686 -7.8922 -7.7471 -0.0673 0.3879
|
|
0.8057 0.8491 0.9077 1.2719 1.6989 1.8351 2.0397 2.1669
|
|
2.3407 2.5622 2.8248 2.9052 2.9831 3.2947 3.4736 3.7417
|
|
6.8496 6.8797 7.1789 7.2268 7.4262 7.5407 7.7888 7.9090
|
|
8.0491 8.1234
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.3833
|
|
|
|
-69.3239 -69.3222 -40.7413 -40.7328 -40.7026 -40.6966 -40.6946 -40.6764
|
|
-8.5002 -8.2365 -8.0269 -7.9704 -7.8962 -7.7473 -0.0776 0.4013
|
|
0.8293 0.8370 0.9172 1.2885 1.7285 1.8265 2.0371 2.1620
|
|
2.3398 2.5248 2.8134 2.8837 2.9785 3.2997 3.4604 3.7550
|
|
6.8488 6.8788 7.1813 7.2252 7.4248 7.5401 7.7785 7.9125
|
|
8.0445 8.1238
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4000
|
|
|
|
-69.3241 -69.3223 -40.7415 -40.7330 -40.7029 -40.6969 -40.6952 -40.6762
|
|
-8.4943 -8.2439 -8.0207 -7.9720 -7.8998 -7.7478 -0.0877 0.4141
|
|
0.8235 0.8535 0.9266 1.3055 1.7552 1.8210 2.0371 2.1547
|
|
2.3385 2.4864 2.8030 2.8650 2.9743 3.3052 3.4472 3.7674
|
|
6.8479 6.8775 7.1845 7.2237 7.4235 7.5396 7.7691 7.9161
|
|
8.0399 8.1245
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4167
|
|
|
|
-69.3244 -69.3223 -40.7417 -40.7331 -40.7031 -40.6972 -40.6958 -40.6759
|
|
-8.4887 -8.2511 -8.0144 -7.9737 -7.9031 -7.7484 -0.0971 0.4258
|
|
0.8137 0.8730 0.9352 1.3225 1.7675 1.8299 2.0395 2.1448
|
|
2.3369 2.4486 2.7928 2.8502 2.9705 3.3111 3.4343 3.7785
|
|
6.8472 6.8758 7.1881 7.2221 7.4223 7.5390 7.7608 7.9195
|
|
8.0354 8.1253
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4333
|
|
|
|
-69.3246 -69.3224 -40.7419 -40.7333 -40.7034 -40.6974 -40.6961 -40.6757
|
|
-8.4836 -8.2579 -8.0083 -7.9755 -7.9059 -7.7491 -0.1054 0.4358
|
|
0.8055 0.8896 0.9428 1.3389 1.7621 1.8570 2.0435 2.1320
|
|
2.3353 2.4130 2.7830 2.8394 2.9672 3.3174 3.4221 3.7880
|
|
6.8465 6.8739 7.1922 7.2202 7.4213 7.5386 7.7538 7.9227
|
|
8.0313 8.1261
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4500
|
|
|
|
-69.3247 -69.3225 -40.7420 -40.7334 -40.7035 -40.6977 -40.6964 -40.6755
|
|
-8.4793 -8.2636 -8.0026 -7.9776 -7.9082 -7.7497 -0.1122 0.4439
|
|
0.7990 0.9029 0.9490 1.3538 1.7509 1.8906 2.0483 2.1163
|
|
2.3337 2.3818 2.7743 2.8321 2.9645 3.3237 3.4109 3.7956
|
|
6.8461 6.8722 7.1964 7.2180 7.4204 7.5382 7.7483 7.9255
|
|
8.0278 8.1268
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4667
|
|
|
|
-69.3248 -69.3225 -40.7421 -40.7335 -40.7037 -40.6979 -40.6966 -40.6754
|
|
-8.4759 -8.2681 -7.9975 -7.9798 -7.9099 -7.7502 -0.1172 0.4499
|
|
0.7944 0.9126 0.9534 1.3658 1.7402 1.9238 2.0524 2.0986
|
|
2.3319 2.3575 2.7673 2.8276 2.9625 3.3296 3.4014 3.8011
|
|
6.8458 6.8707 7.2005 7.2155 7.4198 7.5379 7.7443 7.9276
|
|
8.0251 8.1274
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.4833
|
|
|
|
-69.3249 -69.3225 -40.7422 -40.7335 -40.7037 -40.6981 -40.6967 -40.6753
|
|
-8.4738 -8.2709 -7.9934 -7.9822 -7.9110 -7.7505 -0.1203 0.4535
|
|
0.7916 0.9185 0.9562 1.3738 1.7326 1.9512 2.0542 2.0826
|
|
2.3291 2.3435 2.7629 2.8252 2.9612 3.3342 3.3947 3.8045
|
|
6.8457 6.8697 7.2043 7.2128 7.4194 7.5377 7.7419 7.9289
|
|
8.0234 8.1277
|
|
|
|
KC interpolated eigenvalues at k= 0.5000 0.0000 0.5000
|
|
|
|
-69.3249 -69.3225 -40.7422 -40.7335 -40.7038 -40.6981 -40.6967 -40.6753
|
|
-8.4731 -8.2718 -7.9915 -7.9835 -7.9113 -7.7506 -0.1213 0.4548
|
|
0.7906 0.9205 0.9571 1.3766 1.7299 1.9630 2.0537 2.0761
|
|
2.3270 2.3398 2.7614 2.8244 2.9608 3.3359 3.3922 3.8056
|
|
6.8457 6.8694 7.2065 7.2109 7.4193 7.5377 7.7410 7.9294
|
|
8.0228 8.1278
|
|
|
|
KC interpolated eigenvalues at k= 0.4833 0.0000 0.4833
|
|
|
|
-69.3249 -69.3225 -40.7421 -40.7335 -40.7037 -40.6981 -40.6966 -40.6753
|
|
-8.4777 -8.2674 -7.9912 -7.9839 -7.9106 -7.7506 -0.1223 0.4518
|
|
0.7900 0.9075 0.9631 1.3793 1.7348 1.9615 2.0549 2.0798
|
|
2.3250 2.3394 2.7593 2.8298 2.9597 3.3337 3.3979 3.8050
|
|
6.8449 6.8709 7.2062 7.2112 7.4166 7.5397 7.7413 7.9307
|
|
8.0233 8.1279
|
|
|
|
KC interpolated eigenvalues at k= 0.4667 0.0000 0.4667
|
|
|
|
-69.3248 -69.3225 -40.7421 -40.7334 -40.7036 -40.6978 -40.6965 -40.6754
|
|
-8.4905 -8.2551 -7.9904 -7.9849 -7.9084 -7.7505 -0.1252 0.4429
|
|
0.7879 0.8813 0.9693 1.3876 1.7478 1.9584 2.0568 2.0927
|
|
2.3127 2.3450 2.7544 2.8443 2.9566 3.3293 3.4126 3.8033
|
|
6.8432 6.8748 7.2048 7.2123 7.4093 7.5453 7.7422 7.9345
|
|
8.0247 8.1280
|
|
|
|
KC interpolated eigenvalues at k= 0.4500 0.0000 0.4500
|
|
|
|
-69.3246 -69.3224 -40.7419 -40.7332 -40.7034 -40.6975 -40.6963 -40.6755
|
|
-8.5090 -8.2373 -7.9894 -7.9861 -7.9050 -7.7505 -0.1301 0.4286
|
|
0.7844 0.8511 0.9686 1.4012 1.7636 1.9572 2.0577 2.1163
|
|
2.2904 2.3567 2.7480 2.8643 2.9523 3.3260 3.4328 3.8006
|
|
6.8413 6.8801 7.2021 7.2146 7.3989 7.5529 7.7437 7.9406
|
|
8.0271 8.1282
|
|
|
|
KC interpolated eigenvalues at k= 0.4333 0.0000 0.4333
|
|
|
|
-69.3243 -69.3223 -40.7417 -40.7331 -40.7032 -40.6970 -40.6960 -40.6756
|
|
-8.5311 -8.2161 -7.9902 -7.9854 -7.9004 -7.7504 -0.1367 0.4092
|
|
0.7793 0.8200 0.9609 1.4195 1.7748 1.9627 2.0576 2.1503
|
|
2.2617 2.3718 2.7404 2.8868 2.9483 3.3253 3.4569 3.7972
|
|
6.8400 6.8863 7.1980 7.2179 7.3867 7.5612 7.7459 7.9488
|
|
8.0304 8.1285
|
|
|
|
KC interpolated eigenvalues at k= 0.4167 0.0000 0.4167
|
|
|
|
-69.3240 -69.3221 -40.7415 -40.7328 -40.7029 -40.6964 -40.6956 -40.6758
|
|
-8.5554 -8.1932 -7.9924 -7.9829 -7.8950 -7.7502 -0.1450 0.3856
|
|
0.7725 0.7898 0.9481 1.4413 1.7750 1.9787 2.0567 2.1886
|
|
2.2349 2.3887 2.7311 2.9059 2.9498 3.3278 3.4838 3.7935
|
|
6.8395 6.8928 7.1924 7.2222 7.3739 7.5693 7.7491 7.9586
|
|
8.0346 8.1290
|
|
|
|
KC interpolated eigenvalues at k= 0.4000 0.0000 0.4000
|
|
|
|
-69.3236 -69.3220 -40.7412 -40.7326 -40.7025 -40.6958 -40.6951 -40.6761
|
|
-8.5809 -8.1693 -7.9951 -7.9795 -7.8889 -7.7501 -0.1547 0.3587
|
|
0.7614 0.7638 0.9324 1.4652 1.7638 2.0034 2.0545 2.1806
|
|
2.2624 2.4059 2.7194 2.9126 2.9655 3.3338 3.5129 3.7900
|
|
6.8399 6.8995 7.1854 7.2273 7.3614 7.5764 7.7533 7.9696
|
|
8.0397 8.1295
|
|
|
|
KC interpolated eigenvalues at k= 0.3833 0.0000 0.3833
|
|
|
|
-69.3232 -69.3218 -40.7409 -40.7323 -40.7020 -40.6950 -40.6946 -40.6763
|
|
-8.6069 -8.1452 -7.9978 -7.9756 -7.8822 -7.7499 -0.1656 0.3292
|
|
0.7355 0.7531 0.9159 1.4894 1.7447 2.0307 2.0507 2.1478
|
|
2.3246 2.4223 2.7054 2.9103 2.9917 3.3434 3.5437 3.7872
|
|
6.8414 6.9061 7.1771 7.2332 7.3495 7.5822 7.7586 7.9813
|
|
8.0457 8.1302
|
|
|
|
KC interpolated eigenvalues at k= 0.3667 0.0000 0.3667
|
|
|
|
-69.3228 -69.3216 -40.7406 -40.7320 -40.7015 -40.6942 -40.6940 -40.6766
|
|
-8.6330 -8.1213 -8.0005 -7.9710 -7.8750 -7.7498 -0.1773 0.2981
|
|
0.7120 0.7407 0.9003 1.5114 1.7223 2.0292 2.0666 2.1221
|
|
2.3941 2.4370 2.6900 2.9057 3.0215 3.3566 3.5758 3.7857
|
|
6.8440 6.9124 7.1675 7.2398 7.3386 7.5863 7.7651 7.9930
|
|
8.0528 8.1311
|
|
|
|
KC interpolated eigenvalues at k= 0.3500 0.0000 0.3500
|
|
|
|
-69.3224 -69.3214 -40.7402 -40.7317 -40.7009 -40.6934 -40.6933 -40.6770
|
|
-8.6589 -8.0979 -8.0031 -7.9659 -7.8675 -7.7497 -0.1894 0.2661
|
|
0.6910 0.7271 0.8865 1.5269 1.7020 1.9999 2.0873 2.1183
|
|
2.4489 2.4628 2.6777 2.9006 3.0527 3.3733 3.6088 3.7861
|
|
6.8476 6.9183 7.1571 7.2468 7.3287 7.5885 7.7728 8.0041
|
|
8.0610 8.1323
|
|
|
|
KC interpolated eigenvalues at k= 0.3333 0.0000 0.3333
|
|
|
|
-69.3220 -69.3211 -40.7399 -40.7314 -40.7003 -40.6928 -40.6923 -40.6774
|
|
-8.6845 -8.0751 -8.0055 -7.9603 -7.8597 -7.7496 -0.2014 0.2337
|
|
0.6726 0.7130 0.8748 1.5294 1.6909 1.9594 2.0918 2.1409
|
|
2.4572 2.5163 2.6806 2.8956 3.0846 3.3935 3.6423 3.7888
|
|
6.8524 6.9237 7.1461 7.2542 7.3197 7.5887 7.7817 8.0139
|
|
8.0706 8.1337
|
|
|
|
KC interpolated eigenvalues at k= 0.3167 0.0000 0.3167
|
|
|
|
-69.3217 -69.3208 -40.7397 -40.7312 -40.6997 -40.6922 -40.6914 -40.6778
|
|
-8.7094 -8.0533 -8.0078 -7.9543 -7.8518 -7.7495 -0.2128 0.2013
|
|
0.6566 0.6994 0.8652 1.5138 1.6934 1.9146 2.0942 2.1697
|
|
2.4600 2.5360 2.7151 2.8926 3.1169 3.4170 3.6761 3.7942
|
|
6.8582 6.9285 7.1351 7.2616 7.3115 7.5869 7.7917 8.0222
|
|
8.0813 8.1356
|
|
|
|
KC interpolated eigenvalues at k= 0.3000 0.0000 0.3000
|
|
|
|
-69.3215 -69.3203 -40.7394 -40.7310 -40.6991 -40.6916 -40.6904 -40.6783
|
|
-8.7337 -8.0325 -8.0097 -7.9479 -7.8438 -7.7495 -0.2232 0.1691
|
|
0.6430 0.6872 0.8576 1.4832 1.7047 1.8707 2.0979 2.1982
|
|
2.4541 2.5318 2.7651 2.8993 3.1495 3.4438 3.7097 3.8025
|
|
6.8650 6.9326 7.1244 7.2686 7.3043 7.5829 7.8028 8.0286
|
|
8.0930 8.1378
|
|
|
|
KC interpolated eigenvalues at k= 0.2833 0.0000 0.2833
|
|
|
|
-69.3213 -69.3199 -40.7392 -40.7308 -40.6984 -40.6911 -40.6895 -40.6787
|
|
-8.7571 -8.0159 -8.0084 -7.9411 -7.8358 -7.7496 -0.2321 0.1374
|
|
0.6320 0.6770 0.8515 1.4432 1.7128 1.8357 2.1029 2.2246
|
|
2.4366 2.5243 2.7930 2.9348 3.1823 3.4736 3.7428 3.8136
|
|
6.8728 6.9362 7.1143 7.2738 7.2990 7.5769 7.8148 8.0332
|
|
8.1051 8.1405
|
|
|
|
KC interpolated eigenvalues at k= 0.2667 0.0000 0.2667
|
|
|
|
-69.3212 -69.3194 -40.7391 -40.7307 -40.6977 -40.6905 -40.6886 -40.6792
|
|
-8.7796 -8.0148 -7.9924 -7.9340 -7.8279 -7.7497 -0.2390 0.1064
|
|
0.6236 0.6693 0.8468 1.3976 1.6999 1.8241 2.1087 2.2474
|
|
2.4099 2.5200 2.7904 2.9989 3.2153 3.5065 3.7751 3.8275
|
|
6.8814 6.9393 7.1052 7.2742 7.2982 7.5690 7.8277 8.0363
|
|
8.1173 8.1436
|
|
|
|
KC interpolated eigenvalues at k= 0.2500 0.0000 0.2500
|
|
|
|
-69.3212 -69.3189 -40.7389 -40.7306 -40.6971 -40.6901 -40.6877 -40.6797
|
|
-8.8010 -8.0162 -7.9749 -7.9266 -7.8201 -7.7499 -0.2437 0.0761
|
|
0.6178 0.6643 0.8434 1.3484 1.6635 1.8373 2.1153 2.2629
|
|
2.3816 2.5178 2.7729 3.0723 3.2484 3.5424 3.8064 3.8438
|
|
6.8907 6.9420 7.0972 7.2690 7.3026 7.5592 7.8414 8.0379
|
|
8.1291 8.1471
|
|
|
|
KC interpolated eigenvalues at k= 0.2333 0.0000 0.2333
|
|
|
|
-69.3212 -69.3185 -40.7389 -40.7306 -40.6964 -40.6897 -40.6868 -40.6801
|
|
-8.8214 -8.0176 -7.9583 -7.9191 -7.8126 -7.7503 -0.2458 0.0469
|
|
0.6145 0.6622 0.8410 1.2969 1.6166 1.8615 2.1225 2.2623
|
|
2.3636 2.5162 2.7484 3.1453 3.2814 3.5813 3.8361 3.8623
|
|
6.9007 6.9446 7.0902 7.2609 7.3091 7.5476 7.8556 8.0384
|
|
8.1402 8.1509
|
|
|
|
KC interpolated eigenvalues at k= 0.2167 0.0000 0.2167
|
|
|
|
-69.3212 -69.3181 -40.7389 -40.7307 -40.6958 -40.6895 -40.6860 -40.6805
|
|
-8.8405 -8.0189 -7.9428 -7.9115 -7.8054 -7.7507 -0.2452 0.0188
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|
0.6138 0.6631 0.8395 1.2439 1.5660 1.8893 2.1301 2.2392
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|
2.3640 2.5145 2.7196 3.2142 3.3143 3.6230 3.8637 3.8829
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|
6.9112 6.9474 7.0845 7.2512 7.3160 7.5346 7.8703 8.0379
|
|
8.1504 8.1548
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|
|
|
KC interpolated eigenvalues at k= 0.2000 0.0000 0.2000
|
|
|
|
-69.3212 -69.3177 -40.7389 -40.7308 -40.6953 -40.6893 -40.6852 -40.6808
|
|
-8.8585 -8.0201 -7.9285 -7.9038 -7.7986 -7.7513 -0.2418 -0.0079
|
|
0.6155 0.6668 0.8389 1.1901 1.5141 1.9180 2.1381 2.2029
|
|
2.3750 2.5124 2.6878 3.2768 3.3468 3.6675 3.8887 3.9052
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|
6.9219 6.9508 7.0797 7.2405 7.3229 7.5202 7.8853 8.0366
|
|
8.1588 8.1594
|
|
|
|
KC interpolated eigenvalues at k= 0.1833 0.0000 0.1833
|
|
|
|
-69.3213 -69.3174 -40.7390 -40.7310 -40.6947 -40.6893 -40.6845 -40.6810
|
|
-8.8752 -8.0212 -7.9152 -7.8962 -7.7923 -7.7520 -0.2356 -0.0331
|
|
0.6193 0.6735 0.8389 1.1364 1.4619 1.9457 2.1463 2.1625
|
|
2.3888 2.5098 2.6542 3.3321 3.3787 3.7141 3.9113 3.9284
|
|
6.9327 6.9552 7.0758 7.2289 7.3294 7.5046 7.9004 8.0346
|
|
8.1627 8.1672
|
|
|
|
KC interpolated eigenvalues at k= 0.1667 0.0000 0.1667
|
|
|
|
-69.3214 -69.3171 -40.7392 -40.7312 -40.6942 -40.6894 -40.6839 -40.6812
|
|
-8.8906 -8.0221 -7.9031 -7.8886 -7.7866 -7.7528 -0.2268 -0.0566
|
|
0.6249 0.6829 0.8393 1.0836 1.4099 1.9702 2.1235 2.1545
|
|
2.4026 2.5067 2.6196 3.3797 3.4099 3.7620 3.9323 3.9512
|
|
6.9429 6.9613 7.0727 7.2163 7.3356 7.4883 7.9154 8.0322
|
|
8.1665 8.1737
|
|
|
|
KC interpolated eigenvalues at k= 0.1500 0.0000 0.1500
|
|
|
|
-69.3215 -69.3169 -40.7393 -40.7314 -40.6937 -40.6896 -40.6833 -40.6813
|
|
-8.9046 -8.0229 -7.8920 -7.8813 -7.7815 -7.7537 -0.2156 -0.0782
|
|
0.6319 0.6949 0.8395 1.0331 1.3586 1.9853 2.0932 2.1628
|
|
2.4151 2.5031 2.5848 3.4199 3.4401 3.8101 3.9519 3.9727
|
|
6.9523 6.9694 7.0703 7.2028 7.3412 7.4715 7.9302 8.0295
|
|
8.1701 8.1788
|
|
|
|
KC interpolated eigenvalues at k= 0.1333 0.0000 0.1333
|
|
|
|
-69.3216 -69.3166 -40.7395 -40.7316 -40.6933 -40.6899 -40.6828 -40.6813
|
|
-8.9172 -8.0236 -7.8820 -7.8743 -7.7769 -7.7548 -0.2022 -0.0978
|
|
0.6401 0.7092 0.8387 0.9865 1.3080 1.9794 2.0843 2.1711
|
|
2.4258 2.4990 2.5509 3.4534 3.4687 3.8568 3.9702 3.9924
|
|
6.9611 6.9793 7.0683 7.1886 7.3463 7.4545 7.9445 8.0267
|
|
8.1734 8.1827
|
|
|
|
KC interpolated eigenvalues at k= 0.1167 0.0000 0.1167
|
|
|
|
-69.3218 -69.3164 -40.7397 -40.7319 -40.6930 -40.6902 -40.6824 -40.6813
|
|
-8.9284 -8.0242 -7.8730 -7.8677 -7.7730 -7.7559 -0.1874 -0.1153
|
|
0.6488 0.7249 0.8349 0.9471 1.2586 1.9534 2.0965 2.1791
|
|
2.4340 2.4942 2.5193 3.4818 3.4946 3.9008 3.9871 4.0101
|
|
6.9700 6.9900 7.0668 7.1736 7.3508 7.4377 7.9582 8.0239
|
|
8.1763 8.1853
|
|
|
|
KC interpolated eigenvalues at k= 0.1000 0.0000 0.1000
|
|
|
|
-69.3219 -69.3163 -40.7399 -40.7321 -40.6927 -40.6906 -40.6820 -40.6812
|
|
-8.9381 -8.0247 -7.8652 -7.8616 -7.7698 -7.7571 -0.1716 -0.1306
|
|
0.6577 0.7402 0.8262 0.9193 1.2105 1.9210 2.1168 2.1868
|
|
2.4376 2.4856 2.4960 3.5061 3.5170 3.9408 4.0024 4.0256
|
|
6.9798 7.0009 7.0656 7.1581 7.3547 7.4215 7.9710 8.0211
|
|
8.1789 8.1869
|
|
|
|
KC interpolated eigenvalues at k= 0.0833 0.0000 0.0833
|
|
|
|
-69.3220 -69.3162 -40.7401 -40.7324 -40.6924 -40.6909 -40.6817 -40.6812
|
|
-8.9464 -8.0252 -7.8584 -7.8562 -7.7671 -7.7582 -0.1562 -0.1430
|
|
0.6662 0.7487 0.8176 0.9052 1.1640 1.8891 2.1389 2.1940
|
|
2.4302 2.4727 2.4884 3.5269 3.5356 3.9754 4.0163 4.0389
|
|
6.9905 7.0113 7.0646 7.1420 7.3579 7.4065 7.9825 8.0186
|
|
8.1811 8.1876
|
|
|
|
KC interpolated eigenvalues at k= 0.0667 0.0000 0.0667
|
|
|
|
-69.3221 -69.3161 -40.7403 -40.7326 -40.6922 -40.6912 -40.6814 -40.6811
|
|
-8.9532 -8.0255 -7.8528 -7.8515 -7.7651 -7.7593 -0.1557 -0.1389
|
|
0.6738 0.7407 0.8235 0.9005 1.1195 1.8606 2.1604 2.2004
|
|
2.4106 2.4701 2.4840 3.5442 3.5504 4.0030 4.0296 4.0499
|
|
7.0023 7.0208 7.0639 7.1257 7.3606 7.3930 7.9926 8.0165
|
|
8.1829 8.1876
|
|
|
|
KC interpolated eigenvalues at k= 0.0500 0.0000 0.0500
|
|
|
|
-69.3222 -69.3160 -40.7404 -40.7328 -40.6920 -40.6915 -40.6812 -40.6811
|
|
-8.9585 -8.0258 -7.8483 -7.8477 -7.7636 -7.7603 -0.1637 -0.1258
|
|
0.6802 0.7224 0.8429 0.9002 1.0775 1.8370 2.1802 2.2059
|
|
2.3885 2.4716 2.4803 3.5579 3.5617 4.0212 4.0438 4.0586
|
|
7.0152 7.0289 7.0634 7.1091 7.3627 7.3818 8.0009 8.0147
|
|
8.1843 8.1873
|
|
|
|
KC interpolated eigenvalues at k= 0.0333 0.0000 0.0333
|
|
|
|
-69.3223 -69.3160 -40.7405 -40.7329 -40.6919 -40.6916 -40.6811 -40.6810
|
|
-8.9623 -8.0259 -7.8451 -7.8448 -7.7625 -7.7611 -0.1697 -0.1152
|
|
0.6850 0.7049 0.8675 0.9013 1.0392 1.8194 2.1971 2.2100
|
|
2.3691 2.4735 2.4776 3.5679 3.5697 4.0312 4.0573 4.0648
|
|
7.0287 7.0354 7.0631 7.0926 7.3642 7.3732 8.0071 8.0134
|
|
8.1853 8.1867
|
|
|
|
KC interpolated eigenvalues at k= 0.0167 0.0000 0.0167
|
|
|
|
-69.3223 -69.3159 -40.7406 -40.7330 -40.6918 -40.6918 -40.6810 -40.6810
|
|
-8.9646 -8.0260 -7.8431 -7.8431 -7.7619 -7.7616 -0.1733 -0.1083
|
|
0.6880 0.6931 0.8912 0.9025 1.0077 1.8085 2.2090 2.2127
|
|
2.3555 2.4748 2.4758 3.5739 3.5744 4.0362 4.0665 4.0685
|
|
7.0378 7.0448 7.0630 7.0763 7.3651 7.3679 8.0110 8.0126
|
|
8.1859 8.1863
|
|
|
|
KC interpolated eigenvalues at k= 0.0000 0.0000 0.0000
|
|
|
|
-69.3223 -69.3159 -40.7406 -40.7330 -40.6918 -40.6918 -40.6810 -40.6810
|
|
-8.9654 -8.0261 -7.8425 -7.8425 -7.7617 -7.7617 -0.1745 -0.1060
|
|
0.6890 0.6890 0.9029 0.9030 0.9935 1.8048 2.2135 2.2136
|
|
2.3504 2.4752 2.4753 3.5759 3.5759 4.0378 4.0697 4.0698
|
|
7.0395 7.0572 7.0630 7.0630 7.3657 7.3657 8.0123 8.0123
|
|
8.1861 8.1861
|
|
|
|
ENDING BAND STRUCTURE INTERPOLATION
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|
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Writing all to output data dir /home/colonna_n/CODES/q-e-kcw-soc/tempdir/cri3_kcw.save/ :
|
|
XML data file, pseudopotentials, collected wavefunctions
|
|
|
|
KCW : 2.71s CPU 3.11s WALL
|
|
|
|
INITIALIZATION:
|
|
|
|
init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
init_us_1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
|
|
|
|
|
|
|
|
|
|
h_psi : 0.10s CPU 0.11s WALL ( 8 calls)
|
|
|
|
h_psi : 0.10s CPU 0.11s WALL ( 8 calls)
|
|
add_vuspsi : 0.01s CPU 0.01s WALL ( 8 calls)
|
|
|
|
|
|
|
|
General routines
|
|
calbec : 0.01s CPU 0.01s WALL ( 8 calls)
|
|
fft : 0.00s CPU 0.01s WALL ( 5 calls)
|
|
ffts : 0.42s CPU 0.45s WALL ( 2688 calls)
|
|
fftw : 0.07s CPU 0.08s WALL ( 672 calls)
|
|
davcio : 0.02s CPU 0.17s WALL ( 72 calls)
|
|
|
|
|
|
KCW : 2.71s CPU 3.12s WALL
|
|
|
|
|
|
This run was terminated on: 10:54:11 5Jun2024
|
|
|
|
=------------------------------------------------------------------------------=
|
|
JOB DONE.
|
|
=------------------------------------------------------------------------------=
|