mirror of https://gitlab.com/QEF/q-e.git
3144 lines
237 KiB
Plaintext
3144 lines
237 KiB
Plaintext
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``:oss/
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`.+s+. .+ys--yh+ `./ss+.
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-sh//yy+` +yy +yy -+h+-oyy
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-yh- .oyy/.-sh. .syo-.:sy- /yh
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`.-.` `yh+ -oyyyo. `/syys: oys `.`
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`/+ssys+-` `sh+ ` oys` .:osyo`
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-yh- ./syyooyo` .sys+/oyo--yh/
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`yy+ .-:-. `-/+/:` -sh-
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/yh. oys
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``..---hho---------` .---------..` `.-----.` -hd+---.
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`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
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+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
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-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
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-yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo`
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.sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh:
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`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
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`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
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+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
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syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
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/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
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-yh- ```````````````` ````````` `` `` oys
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-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
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shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
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Lee, H., Poncé, S., Bushick, K., Hajinazar, S., Lafuente-Bartolome, J.,Leveillee, J.,
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Lian, C., Lihm, J., Macheda, F., Mori, H., Paudyal, H., Sio, W., Tiwari, S.,
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Zacharias, M., Zhang, X., Bonini, N., Kioupakis, E., Margine, E.R., and Giustino F.,
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npj Comput Mater 9, 156 (2023)
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Program EPW v.5.8 starts on 9Jan2024 at 13:29:15
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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 4 processors
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MPI processes distributed on 1 nodes
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K-points division: npool = 4
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35780 MiB available memory on the printing compute node when the environment starts
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Reading input from epw10.in
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Reading supplied temperature list.
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Reading xml data from directory:
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./diam.save/
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file C_3.98148.UPF: wavefunction(s) 3d renormalized
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation= PZ
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( 1 1 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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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Sum 367 367 121 4645 4645 893
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Using Slab Decomposition
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Reading collected, re-writing distributed wavefunctions
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Possibly too few bands at point 1 0.00000 0.00000 0.00000
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Possibly too few bands at point 2 -0.33333 0.33333 -0.33333
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Possibly too few bands at point 3 -0.66667 0.66667 -0.66667
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Possibly too few bands at point 4 0.33333 0.33333 0.33333
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Possibly too few bands at point 5 0.00000 0.66667 0.00000
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Possibly too few bands at point 6 -0.33333 1.00000 -0.33333
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Possibly too few bands at point 7 0.66667 0.66667 0.66667
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--
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bravais-lattice index = 2
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lattice parameter (a_0) = 6.6425 a.u.
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unit-cell volume = 73.2698 (a.u.)^3
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number of atoms/cell = 2
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number of atomic types = 1
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kinetic-energy cut-off = 60.0000 Ry
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charge density cut-off = 240.0000 Ry
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Exchange-correlation= PZ
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( 1 1 0 0 0 0 0)
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celldm(1)= 6.64245 celldm(2)= 0.00000 celldm(3)= 0.00000
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celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
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crystal axes: (cart. coord. in units of a_0)
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a(1) = ( -0.5000 0.0000 0.5000 )
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a(2) = ( 0.0000 0.5000 0.5000 )
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a(3) = ( -0.5000 0.5000 0.0000 )
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reciprocal axes: (cart. coord. in units 2 pi/a_0)
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b(1) = ( -1.0000 -1.0000 1.0000 )
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b(2) = ( 1.0000 1.0000 1.0000 )
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b(3) = ( -1.0000 1.0000 -1.0000 )
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Atoms inside the unit cell:
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Cartesian axes
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site n. atom mass positions (a_0 units)
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1 C 12.0108 tau( 1) = ( 0.00000 0.00000 0.00000 )
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2 C 12.0108 tau( 2) = ( 0.25000 0.25000 0.25000 )
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49 Sym.Ops. (with q -> -q+G )
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G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24)
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number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1
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cart. coord. in units 2pi/a_0
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k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741
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k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741
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k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741
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k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741
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k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741
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k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741
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k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741
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k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741
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k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741
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k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741
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k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741
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k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741
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k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741
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k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741
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k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741
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k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741
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k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741
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k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741
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k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741
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k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741
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k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741
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k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741
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k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741
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k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741
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k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741
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k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741
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k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741
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PseudoPot. # 1 for C read from file:
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../../pseudo/C_3.98148.UPF
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MD5 check sum: 8b65adcd36341f53911399f4b6efa59f
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Pseudo is Norm-conserving, Zval = 4.0
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Generated by new atomic code, or converted to UPF format
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Using radial grid of 461 points, 2 beta functions with:
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l(1) = 0
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l(2) = 1
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EPW : 0.11s CPU 0.13s WALL
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EPW : 0.11s CPU 0.13s WALL
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-------------------------------------------------------------------
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Using diam.ukk from disk
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-------------------------------------------------------------------
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Dipole matrix elements calculated
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Symmetries of Bravais lattice: 48
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Symmetries of crystal: 48
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Reading epmatq from .epb files
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The .epb files have been correctly read
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Construct the Wigner-Seitz cell using Wannier centers and atomic positions
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Number of WS vectors for electrons 79
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Number of WS vectors for phonons 63
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Number of WS vectors for electron-phonon 53
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Maximum number of cores for efficient parallelization 106
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Bloch2wane: 1 / 27
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Bloch2wane: 2 / 27
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Bloch2wane: 3 / 27
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Bloch2wane: 4 / 27
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Bloch2wane: 5 / 27
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Bloch2wane: 6 / 27
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Bloch2wane: 7 / 27
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Bloch2wane: 8 / 27
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Bloch2wane: 9 / 27
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Bloch2wane: 10 / 27
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Bloch2wane: 11 / 27
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Bloch2wane: 12 / 27
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Bloch2wane: 13 / 27
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Bloch2wane: 14 / 27
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Bloch2wane: 15 / 27
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Bloch2wane: 16 / 27
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Bloch2wane: 17 / 27
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Bloch2wane: 18 / 27
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Bloch2wane: 19 / 27
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Bloch2wane: 20 / 27
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Bloch2wane: 21 / 27
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Bloch2wane: 22 / 27
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Bloch2wane: 23 / 27
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Bloch2wane: 24 / 27
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Bloch2wane: 25 / 27
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Bloch2wane: 26 / 27
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Bloch2wane: 27 / 27
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Bloch2wanp: 1 / 14
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Bloch2wanp: 2 / 14
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Bloch2wanp: 3 / 14
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Bloch2wanp: 4 / 14
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Bloch2wanp: 5 / 14
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Bloch2wanp: 6 / 14
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Bloch2wanp: 7 / 14
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Bloch2wanp: 8 / 14
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Bloch2wanp: 9 / 14
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Bloch2wanp: 10 / 14
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Bloch2wanp: 11 / 14
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Bloch2wanp: 12 / 14
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Bloch2wanp: 13 / 14
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Bloch2wanp: 14 / 14
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Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
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===================================================================
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Memory usage: VmHWM = 61Mb
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VmPeak = 3795Mb
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===================================================================
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Using uniform q-mesh: 6 6 6
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Size of q point mesh for interpolation: 216
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Using uniform k-mesh: 6 6 6
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Size of k point mesh for interpolation: 432
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Max number of k points per pool: 108
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Fermi energy coarse grid = 14.009579 eV
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Fermi energy is calculated from the fine k-mesh: Ef = 13.574362 eV
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Warning: check if difference with Fermi level fine grid makes sense
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===================================================================
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ibndmin = 1 ebndmin = -1.180 eV
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ibndmax = 4 ebndmax = 13.891 eV
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Number of ep-matrix elements per pool : 5184 ~= 40.50 Kb (@ 8 bytes/ DP)
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A selecq.fmt file was found but re-created because selecqread == .FALSE.
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Number selected, total 100 100
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Number selected, total 200 200
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We only need to compute 216 q-points
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===================================================================
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Electron (Imaginary) Self-Energy in the Migdal Approximation
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===================================================================
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Fermi Surface thickness = 15.000000 eV
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Golden Rule strictly enforced with T = 0.025852 eV
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Gaussian Broadening: 1.000000 eV, ngauss= 1
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Progression iq (fine) = 100/ 216
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Progression iq (fine) = 200/ 216
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Average over degenerate eigenstates is performed
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Temperature: 300.000K
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WARNING: only the eigenstates within the Fermi window are meaningful
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ik = 1 coord.: 0.0000000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -21.5311 eV Re[Sigma]= -64.670571 meV Im[Sigma]= 5.282782 meV Z= 0.992610 lam= 0.007445
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E( 2 )= 0.3164 eV Re[Sigma]= 143.084737 meV Im[Sigma]= 40.710283 meV Z= 0.982630 lam= 0.017677
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E( 3 )= 0.3164 eV Re[Sigma]= 143.084737 meV Im[Sigma]= 40.710283 meV Z= 0.982630 lam= 0.017677
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E( 4 )= 0.3164 eV Re[Sigma]= 143.084737 meV Im[Sigma]= 40.710283 meV Z= 0.982630 lam= 0.017677
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-------------------------------------------------------------------
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ik = 2 coord.: 0.0000000 0.0000000 0.1666667
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-------------------------------------------------------------------
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E( 1 )= -20.6564 eV Re[Sigma]= -66.956076 meV Im[Sigma]= 14.962730 meV Z= 0.996956 lam= 0.003054
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E( 2 )= -2.7023 eV Re[Sigma]= 87.492400 meV Im[Sigma]= 183.691386 meV Z= 1.046931 lam= -0.044827
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E( 3 )= -0.4637 eV Re[Sigma]= 132.970543 meV Im[Sigma]= 77.014764 meV Z= 1.003110 lam= -0.003100
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E( 4 )= -0.4637 eV Re[Sigma]= 132.970543 meV Im[Sigma]= 77.014764 meV Z= 1.003110 lam= -0.003100
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-------------------------------------------------------------------
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ik = 3 coord.: 0.0000000 0.0000000 0.3333333
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-------------------------------------------------------------------
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E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534536 meV Z= 1.004062 lam= -0.004045
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E( 2 )= -9.2172 eV Re[Sigma]= -17.359423 meV Im[Sigma]= 43.322005 meV Z= 0.990934 lam= 0.009149
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E( 3 )= -2.0888 eV Re[Sigma]= 95.978284 meV Im[Sigma]= 140.310718 meV Z= 1.020305 lam= -0.019900
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E( 4 )= -2.0888 eV Re[Sigma]= 95.978284 meV Im[Sigma]= 140.310718 meV Z= 1.020305 lam= -0.019900
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-------------------------------------------------------------------
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ik = 4 coord.: 0.0000000 0.0000000 0.5000000
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-------------------------------------------------------------------
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E( 1 )= -15.3937 eV Re[Sigma]= -49.850439 meV Im[Sigma]= 56.593572 meV Z= 1.002218 lam= -0.002213
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E( 2 )= -14.3295 eV Re[Sigma]= 1.335995 meV Im[Sigma]= 53.675078 meV Z= 0.998225 lam= 0.001779
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E( 3 )= -2.9337 eV Re[Sigma]= 56.086577 meV Im[Sigma]= 163.957867 meV Z= 1.043231 lam= -0.041439
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E( 4 )= -2.9337 eV Re[Sigma]= 56.086577 meV Im[Sigma]= 163.957867 meV Z= 1.043231 lam= -0.041439
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-------------------------------------------------------------------
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ik = 5 coord.: 0.0000000 0.0000000 0.6666667
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-------------------------------------------------------------------
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E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534535 meV Z= 1.004062 lam= -0.004045
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E( 2 )= -9.2172 eV Re[Sigma]= -17.359415 meV Im[Sigma]= 43.321999 meV Z= 0.990934 lam= 0.009149
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E( 3 )= -2.0888 eV Re[Sigma]= 95.978284 meV Im[Sigma]= 140.310722 meV Z= 1.020305 lam= -0.019900
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E( 4 )= -2.0888 eV Re[Sigma]= 95.978284 meV Im[Sigma]= 140.310722 meV Z= 1.020305 lam= -0.019900
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-------------------------------------------------------------------
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ik = 6 coord.: 0.0000000 0.0000000 0.8333333
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-------------------------------------------------------------------
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E( 1 )= -20.6564 eV Re[Sigma]= -66.956077 meV Im[Sigma]= 14.962731 meV Z= 0.996956 lam= 0.003054
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E( 2 )= -2.7023 eV Re[Sigma]= 87.492384 meV Im[Sigma]= 183.691357 meV Z= 1.046931 lam= -0.044827
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E( 3 )= -0.4637 eV Re[Sigma]= 132.970549 meV Im[Sigma]= 77.014770 meV Z= 1.003110 lam= -0.003100
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E( 4 )= -0.4637 eV Re[Sigma]= 132.970549 meV Im[Sigma]= 77.014770 meV Z= 1.003110 lam= -0.003100
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-------------------------------------------------------------------
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ik = 7 coord.: 0.0000000 0.1666667 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -20.6564 eV Re[Sigma]= -66.956077 meV Im[Sigma]= 14.962730 meV Z= 0.996956 lam= 0.003054
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E( 2 )= -2.7023 eV Re[Sigma]= 87.492385 meV Im[Sigma]= 183.691366 meV Z= 1.046931 lam= -0.044827
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E( 3 )= -0.4637 eV Re[Sigma]= 132.970543 meV Im[Sigma]= 77.014765 meV Z= 1.003110 lam= -0.003100
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E( 4 )= -0.4637 eV Re[Sigma]= 132.970543 meV Im[Sigma]= 77.014765 meV Z= 1.003110 lam= -0.003100
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-------------------------------------------------------------------
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ik = 8 coord.: 0.0000000 0.1666667 0.1666667
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-------------------------------------------------------------------
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E( 1 )= -20.3785 eV Re[Sigma]= -67.071592 meV Im[Sigma]= 17.268018 meV Z= 0.996120 lam= 0.003896
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E( 2 )= -1.6787 eV Re[Sigma]= 118.749785 meV Im[Sigma]= 129.805944 meV Z= 1.008752 lam= -0.008676
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E( 3 )= -1.6770 eV Re[Sigma]= 112.921032 meV Im[Sigma]= 117.001829 meV Z= 1.006997 lam= -0.006948
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E( 4 )= -1.6770 eV Re[Sigma]= 112.921032 meV Im[Sigma]= 117.001829 meV Z= 1.006997 lam= -0.006948
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-------------------------------------------------------------------
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ik = 9 coord.: 0.0000000 0.1666667 0.3333333
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-------------------------------------------------------------------
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E( 1 )= -18.5798 eV Re[Sigma]= -59.738912 meV Im[Sigma]= 43.177861 meV Z= 1.007120 lam= -0.007069
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E( 2 )= -6.8153 eV Re[Sigma]= -8.705071 meV Im[Sigma]= 101.820790 meV Z= 1.010369 lam= -0.010262
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E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061722 meV Z= 1.029125 lam= -0.028300
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E( 4 )= -2.6774 eV Re[Sigma]= 78.558216 meV Im[Sigma]= 166.879301 meV Z= 1.042501 lam= -0.040768
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-------------------------------------------------------------------
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ik = 10 coord.: 0.0000000 0.1666667 0.5000000
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-------------------------------------------------------------------
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E( 1 )= -15.5807 eV Re[Sigma]= -40.659762 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
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E( 2 )= -12.3954 eV Re[Sigma]= -10.267721 meV Im[Sigma]= 66.279454 meV Z= 1.012006 lam= -0.011863
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E( 3 )= -4.5402 eV Re[Sigma]= 13.232898 meV Im[Sigma]= 140.046297 meV Z= 1.023176 lam= -0.022651
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E( 4 )= -3.9016 eV Re[Sigma]= 27.757791 meV Im[Sigma]= 142.307848 meV Z= 1.026519 lam= -0.025834
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-------------------------------------------------------------------
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|
|
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610871 meV Im[Sigma]= 66.272140 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319607 meV Im[Sigma]= 55.601844 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083493 meV Im[Sigma]= 121.881166 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303942 meV Im[Sigma]= 157.707821 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965186 meV Im[Sigma]= 35.445214 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986143 meV Im[Sigma]= 150.049315 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636201 meV Im[Sigma]= 162.743654 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477093 meV Im[Sigma]= 85.695490 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534536 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359420 meV Im[Sigma]= 43.322001 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310724 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310724 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738912 meV Im[Sigma]= 43.177861 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705070 meV Im[Sigma]= 101.820783 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061727 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558215 meV Im[Sigma]= 166.879304 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537442 meV Im[Sigma]= 47.188330 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041717 meV Im[Sigma]= 107.218245 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477919 meV Im[Sigma]= 110.267346 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477919 meV Im[Sigma]= 110.267346 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477808 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378003 meV Im[Sigma]= 56.345324 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252936 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439394 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513414 meV Im[Sigma]= 55.860422 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472719 meV Im[Sigma]= 60.161646 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121540 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514365 meV Im[Sigma]= 129.593256 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610869 meV Im[Sigma]= 66.272144 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319608 meV Im[Sigma]= 55.601847 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083496 meV Im[Sigma]= 121.881168 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303941 meV Im[Sigma]= 157.707820 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -49.850439 meV Im[Sigma]= 56.593572 meV Z= 1.002218 lam= -0.002213
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.335996 meV Im[Sigma]= 53.675075 meV Z= 0.998225 lam= 0.001779
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.086580 meV Im[Sigma]= 163.957871 meV Z= 1.043231 lam= -0.041439
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.086580 meV Im[Sigma]= 163.957871 meV Z= 1.043231 lam= -0.041439
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659763 meV Im[Sigma]= 62.604092 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267717 meV Im[Sigma]= 66.279457 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232897 meV Im[Sigma]= 140.046294 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757791 meV Im[Sigma]= 142.307849 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477809 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378002 meV Im[Sigma]= 56.345323 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252932 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433344 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.681604 meV Im[Sigma]= 72.658503 meV Z= 1.007711 lam= -0.007652
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.681604 meV Im[Sigma]= 72.658503 meV Z= 1.007711 lam= -0.007652
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.691995 meV Im[Sigma]= 66.248360 meV Z= 1.005564 lam= -0.005533
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.691995 meV Im[Sigma]= 66.248360 meV Z= 1.005564 lam= -0.005533
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345324 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252929 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433341 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659759 meV Im[Sigma]= 62.604093 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279454 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232894 meV Im[Sigma]= 140.046294 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757791 meV Im[Sigma]= 142.307842 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534535 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359419 meV Im[Sigma]= 43.322001 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978285 meV Im[Sigma]= 140.310721 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978285 meV Im[Sigma]= 140.310721 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610872 meV Im[Sigma]= 66.272144 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319607 meV Im[Sigma]= 55.601845 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083492 meV Im[Sigma]= 121.881166 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303940 meV Im[Sigma]= 157.707820 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513414 meV Im[Sigma]= 55.860424 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472719 meV Im[Sigma]= 60.161648 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121540 meV Im[Sigma]= 36.010190 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514363 meV Im[Sigma]= 129.593255 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378000 meV Im[Sigma]= 56.345323 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188391 meV Im[Sigma]= 82.252924 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433339 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537437 meV Im[Sigma]= 47.188326 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041715 meV Im[Sigma]= 107.218245 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477920 meV Im[Sigma]= 110.267338 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477920 meV Im[Sigma]= 110.267338 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705066 meV Im[Sigma]= 101.820782 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167210 meV Im[Sigma]= 161.061719 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558213 meV Im[Sigma]= 166.879309 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6564 eV Re[Sigma]= -66.956076 meV Im[Sigma]= 14.962730 meV Z= 0.996956 lam= 0.003054
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.492402 meV Im[Sigma]= 183.691378 meV Z= 1.046931 lam= -0.044827
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.970551 meV Im[Sigma]= 77.014772 meV Z= 1.003110 lam= -0.003100
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.970551 meV Im[Sigma]= 77.014772 meV Z= 1.003110 lam= -0.003100
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965185 meV Im[Sigma]= 35.445213 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986147 meV Im[Sigma]= 150.049328 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636208 meV Im[Sigma]= 162.743664 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477090 meV Im[Sigma]= 85.695491 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610870 meV Im[Sigma]= 66.272147 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601851 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083495 meV Im[Sigma]= 121.881166 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303938 meV Im[Sigma]= 157.707821 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267714 meV Im[Sigma]= 66.279459 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232895 meV Im[Sigma]= 140.046290 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307843 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705065 meV Im[Sigma]= 101.820774 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167210 meV Im[Sigma]= 161.061719 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558215 meV Im[Sigma]= 166.879302 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.071590 meV Im[Sigma]= 17.268017 meV Z= 0.996120 lam= 0.003896
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.749794 meV Im[Sigma]= 129.805948 meV Z= 1.008752 lam= -0.008676
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.921033 meV Im[Sigma]= 117.001833 meV Z= 1.006997 lam= -0.006948
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.921033 meV Im[Sigma]= 117.001833 meV Z= 1.006997 lam= -0.006948
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6564 eV Re[Sigma]= -66.956077 meV Im[Sigma]= 14.962731 meV Z= 0.996956 lam= 0.003054
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.492393 meV Im[Sigma]= 183.691378 meV Z= 1.046931 lam= -0.044827
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.970548 meV Im[Sigma]= 77.014769 meV Z= 1.003110 lam= -0.003100
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.970548 meV Im[Sigma]= 77.014769 meV Z= 1.003110 lam= -0.003100
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.071591 meV Im[Sigma]= 17.268017 meV Z= 0.996120 lam= 0.003896
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.749788 meV Im[Sigma]= 129.805943 meV Z= 1.008752 lam= -0.008676
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.921034 meV Im[Sigma]= 117.001828 meV Z= 1.006997 lam= -0.006948
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.921034 meV Im[Sigma]= 117.001828 meV Z= 1.006997 lam= -0.006948
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177860 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705068 meV Im[Sigma]= 101.820785 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167213 meV Im[Sigma]= 161.061719 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558207 meV Im[Sigma]= 166.879293 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659758 meV Im[Sigma]= 62.604099 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279455 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232891 meV Im[Sigma]= 140.046285 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757792 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610868 meV Im[Sigma]= 66.272141 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319602 meV Im[Sigma]= 55.601849 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083497 meV Im[Sigma]= 121.881165 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303941 meV Im[Sigma]= 157.707820 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965185 meV Im[Sigma]= 35.445214 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986140 meV Im[Sigma]= 150.049315 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636204 meV Im[Sigma]= 162.743646 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477097 meV Im[Sigma]= 85.695494 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.071591 meV Im[Sigma]= 17.268017 meV Z= 0.996120 lam= 0.003896
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.749790 meV Im[Sigma]= 129.805950 meV Z= 1.008752 lam= -0.008676
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.921022 meV Im[Sigma]= 117.001815 meV Z= 1.006997 lam= -0.006948
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.921022 meV Im[Sigma]= 117.001815 meV Z= 1.006997 lam= -0.006948
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6564 eV Re[Sigma]= -66.956077 meV Im[Sigma]= 14.962730 meV Z= 0.996956 lam= 0.003054
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.492388 meV Im[Sigma]= 183.691378 meV Z= 1.046931 lam= -0.044827
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.970537 meV Im[Sigma]= 77.014759 meV Z= 1.003110 lam= -0.003100
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.970537 meV Im[Sigma]= 77.014759 meV Z= 1.003110 lam= -0.003100
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965187 meV Im[Sigma]= 35.445215 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986138 meV Im[Sigma]= 150.049325 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636210 meV Im[Sigma]= 162.743647 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477082 meV Im[Sigma]= 85.695480 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610871 meV Im[Sigma]= 66.272146 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601850 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083494 meV Im[Sigma]= 121.881167 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303938 meV Im[Sigma]= 157.707814 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604092 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267715 meV Im[Sigma]= 66.279455 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232894 meV Im[Sigma]= 140.046294 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307841 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705064 meV Im[Sigma]= 101.820766 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167210 meV Im[Sigma]= 161.061708 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558215 meV Im[Sigma]= 166.879320 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177860 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705069 meV Im[Sigma]= 101.820778 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167208 meV Im[Sigma]= 161.061708 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558208 meV Im[Sigma]= 166.879287 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965187 meV Im[Sigma]= 35.445216 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986140 meV Im[Sigma]= 150.049329 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636201 meV Im[Sigma]= 162.743637 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477079 meV Im[Sigma]= 85.695475 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738912 meV Im[Sigma]= 43.177863 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705070 meV Im[Sigma]= 101.820786 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167211 meV Im[Sigma]= 161.061721 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558208 meV Im[Sigma]= 166.879292 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931663 meV Im[Sigma]= 68.505366 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484718 meV Im[Sigma]= 58.374287 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707434 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417965 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860905 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667176 meV Im[Sigma]= 62.462451 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423797 meV Im[Sigma]= 90.620669 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559462 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931661 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374284 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599713 meV Im[Sigma]= 87.707425 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706115 meV Im[Sigma]= 143.417963 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279451 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232897 meV Im[Sigma]= 140.046290 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757790 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610870 meV Im[Sigma]= 66.272141 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319607 meV Im[Sigma]= 55.601847 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083493 meV Im[Sigma]= 121.881162 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303941 meV Im[Sigma]= 157.707813 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931662 meV Im[Sigma]= 68.505366 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484718 meV Im[Sigma]= 58.374287 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707431 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706115 meV Im[Sigma]= 143.417963 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477809 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378000 meV Im[Sigma]= 56.345322 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252930 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439397 meV Im[Sigma]= 82.433345 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869619 meV Im[Sigma]= 74.817777 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869619 meV Im[Sigma]= 74.817777 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844618 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844618 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733438 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667180 meV Im[Sigma]= 62.462449 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423795 meV Im[Sigma]= 90.620669 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932944 meV Im[Sigma]= 104.559461 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610870 meV Im[Sigma]= 66.272142 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319607 meV Im[Sigma]= 55.601849 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083496 meV Im[Sigma]= 121.881166 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303941 meV Im[Sigma]= 157.707824 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659762 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267717 meV Im[Sigma]= 66.279452 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232894 meV Im[Sigma]= 140.046294 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757792 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733439 meV Im[Sigma]= 57.860908 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620667 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932941 meV Im[Sigma]= 104.559466 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378002 meV Im[Sigma]= 56.345321 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188392 meV Im[Sigma]= 82.252926 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439397 meV Im[Sigma]= 82.433342 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484722 meV Im[Sigma]= 58.374292 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599710 meV Im[Sigma]= 87.707422 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706113 meV Im[Sigma]= 143.417970 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965186 meV Im[Sigma]= 35.445214 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986142 meV Im[Sigma]= 150.049338 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636204 meV Im[Sigma]= 162.743651 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477098 meV Im[Sigma]= 85.695497 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705065 meV Im[Sigma]= 101.820783 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167213 meV Im[Sigma]= 161.061718 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558218 meV Im[Sigma]= 166.879324 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374288 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599715 meV Im[Sigma]= 87.707444 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417962 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733435 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462450 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423800 meV Im[Sigma]= 90.620666 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932942 meV Im[Sigma]= 104.559462 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931658 meV Im[Sigma]= 68.505361 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484716 meV Im[Sigma]= 58.374285 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599711 meV Im[Sigma]= 87.707416 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706113 meV Im[Sigma]= 143.417967 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705072 meV Im[Sigma]= 101.820778 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167209 meV Im[Sigma]= 161.061717 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558217 meV Im[Sigma]= 166.879311 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534535 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359422 meV Im[Sigma]= 43.322003 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310726 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310726 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177860 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705069 meV Im[Sigma]= 101.820784 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167213 meV Im[Sigma]= 161.061720 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558210 meV Im[Sigma]= 166.879308 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537438 meV Im[Sigma]= 47.188327 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041715 meV Im[Sigma]= 107.218241 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477923 meV Im[Sigma]= 110.267338 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477923 meV Im[Sigma]= 110.267338 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477804 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378001 meV Im[Sigma]= 56.345322 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252924 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439394 meV Im[Sigma]= 82.433344 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513411 meV Im[Sigma]= 55.860422 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472718 meV Im[Sigma]= 60.161647 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121541 meV Im[Sigma]= 36.010188 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514366 meV Im[Sigma]= 129.593257 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610869 meV Im[Sigma]= 66.272141 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319608 meV Im[Sigma]= 55.601848 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083495 meV Im[Sigma]= 121.881161 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303942 meV Im[Sigma]= 157.707822 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705067 meV Im[Sigma]= 101.820787 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167208 meV Im[Sigma]= 161.061709 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558217 meV Im[Sigma]= 166.879305 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965184 meV Im[Sigma]= 35.445214 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986141 meV Im[Sigma]= 150.049325 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636206 meV Im[Sigma]= 162.743637 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477088 meV Im[Sigma]= 85.695485 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705066 meV Im[Sigma]= 101.820772 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167211 meV Im[Sigma]= 161.061703 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558215 meV Im[Sigma]= 166.879287 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505365 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374284 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599705 meV Im[Sigma]= 87.707411 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417966 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733435 meV Im[Sigma]= 57.860913 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423795 meV Im[Sigma]= 90.620661 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559467 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931659 meV Im[Sigma]= 68.505362 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484714 meV Im[Sigma]= 58.374284 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599710 meV Im[Sigma]= 87.707432 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417972 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537438 meV Im[Sigma]= 47.188326 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041715 meV Im[Sigma]= 107.218237 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477924 meV Im[Sigma]= 110.267330 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477924 meV Im[Sigma]= 110.267330 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705066 meV Im[Sigma]= 101.820775 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167209 meV Im[Sigma]= 161.061699 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558208 meV Im[Sigma]= 166.879291 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534535 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359420 meV Im[Sigma]= 43.322003 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978277 meV Im[Sigma]= 140.310707 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978277 meV Im[Sigma]= 140.310707 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610873 meV Im[Sigma]= 66.272143 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319608 meV Im[Sigma]= 55.601851 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083492 meV Im[Sigma]= 121.881159 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303936 meV Im[Sigma]= 157.707810 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513414 meV Im[Sigma]= 55.860423 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472720 meV Im[Sigma]= 60.161648 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121538 meV Im[Sigma]= 36.010190 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514363 meV Im[Sigma]= 129.593258 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377996 meV Im[Sigma]= 56.345317 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252933 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433340 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378000 meV Im[Sigma]= 56.345321 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188387 meV Im[Sigma]= 82.252916 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433340 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505360 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484719 meV Im[Sigma]= 58.374287 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599704 meV Im[Sigma]= 87.707415 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417956 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610870 meV Im[Sigma]= 66.272142 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601852 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083494 meV Im[Sigma]= 121.881162 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303933 meV Im[Sigma]= 157.707803 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659762 meV Im[Sigma]= 62.604095 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267719 meV Im[Sigma]= 66.279460 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232891 meV Im[Sigma]= 140.046277 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757788 meV Im[Sigma]= 142.307846 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733441 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667178 meV Im[Sigma]= 62.462452 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620661 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559464 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817777 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817777 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844614 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844614 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513414 meV Im[Sigma]= 55.860423 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472720 meV Im[Sigma]= 60.161647 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121537 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514365 meV Im[Sigma]= 129.593257 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733439 meV Im[Sigma]= 57.860906 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462447 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423794 meV Im[Sigma]= 90.620666 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932942 meV Im[Sigma]= 104.559462 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513414 meV Im[Sigma]= 55.860418 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472720 meV Im[Sigma]= 60.161647 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121538 meV Im[Sigma]= 36.010190 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514364 meV Im[Sigma]= 129.593256 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667179 meV Im[Sigma]= 62.462449 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620661 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932945 meV Im[Sigma]= 104.559461 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513417 meV Im[Sigma]= 55.860422 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472722 meV Im[Sigma]= 60.161648 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121536 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514362 meV Im[Sigma]= 129.593255 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733438 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667181 meV Im[Sigma]= 62.462449 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423795 meV Im[Sigma]= 90.620661 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932944 meV Im[Sigma]= 104.559463 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610871 meV Im[Sigma]= 66.272145 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319612 meV Im[Sigma]= 55.601847 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083498 meV Im[Sigma]= 121.881160 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303943 meV Im[Sigma]= 157.707829 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931661 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484723 meV Im[Sigma]= 58.374290 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707430 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417975 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477807 meV Im[Sigma]= 54.565988 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378001 meV Im[Sigma]= 56.345319 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252942 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433342 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817772 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817772 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844617 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844617 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733438 meV Im[Sigma]= 57.860906 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462449 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423793 meV Im[Sigma]= 90.620663 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932946 meV Im[Sigma]= 104.559459 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604095 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267721 meV Im[Sigma]= 66.279452 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232892 meV Im[Sigma]= 140.046291 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757788 meV Im[Sigma]= 142.307842 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -49.850441 meV Im[Sigma]= 56.593572 meV Z= 1.002218 lam= -0.002213
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.335995 meV Im[Sigma]= 53.675075 meV Z= 0.998225 lam= 0.001779
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.086574 meV Im[Sigma]= 163.957864 meV Z= 1.043231 lam= -0.041439
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.086574 meV Im[Sigma]= 163.957864 meV Z= 1.043231 lam= -0.041439
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604095 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267722 meV Im[Sigma]= 66.279454 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232892 meV Im[Sigma]= 140.046289 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757786 meV Im[Sigma]= 142.307838 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378003 meV Im[Sigma]= 56.345324 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188392 meV Im[Sigma]= 82.252922 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439394 meV Im[Sigma]= 82.433341 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.681602 meV Im[Sigma]= 72.658500 meV Z= 1.007711 lam= -0.007652
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.681602 meV Im[Sigma]= 72.658500 meV Z= 1.007711 lam= -0.007652
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.691994 meV Im[Sigma]= 66.248359 meV Z= 1.005564 lam= -0.005533
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.691994 meV Im[Sigma]= 66.248359 meV Z= 1.005564 lam= -0.005533
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345318 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188392 meV Im[Sigma]= 82.252926 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659762 meV Im[Sigma]= 62.604095 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267717 meV Im[Sigma]= 66.279450 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232895 meV Im[Sigma]= 140.046290 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757791 meV Im[Sigma]= 142.307839 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659759 meV Im[Sigma]= 62.604093 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279458 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232895 meV Im[Sigma]= 140.046287 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610868 meV Im[Sigma]= 66.272144 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601853 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083495 meV Im[Sigma]= 121.881155 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303938 meV Im[Sigma]= 157.707821 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931659 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484715 meV Im[Sigma]= 58.374286 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599708 meV Im[Sigma]= 87.707413 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417962 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565991 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377996 meV Im[Sigma]= 56.345319 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188391 meV Im[Sigma]= 82.252923 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433339 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844614 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592746 meV Im[Sigma]= 69.844614 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733437 meV Im[Sigma]= 57.860909 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667175 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423793 meV Im[Sigma]= 90.620660 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559464 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345322 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188391 meV Im[Sigma]= 82.252931 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433339 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931658 meV Im[Sigma]= 68.505364 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484716 meV Im[Sigma]= 58.374285 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599710 meV Im[Sigma]= 87.707432 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706115 meV Im[Sigma]= 143.417958 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610869 meV Im[Sigma]= 66.272140 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319604 meV Im[Sigma]= 55.601849 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083494 meV Im[Sigma]= 121.881167 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303937 meV Im[Sigma]= 157.707807 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659763 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267714 meV Im[Sigma]= 66.279453 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232895 meV Im[Sigma]= 140.046287 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307837 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733436 meV Im[Sigma]= 57.860906 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667180 meV Im[Sigma]= 62.462450 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423793 meV Im[Sigma]= 90.620667 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932946 meV Im[Sigma]= 104.559463 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869615 meV Im[Sigma]= 74.817773 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869615 meV Im[Sigma]= 74.817773 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844617 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844617 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.681600 meV Im[Sigma]= 72.658500 meV Z= 1.007711 lam= -0.007652
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.681600 meV Im[Sigma]= 72.658500 meV Z= 1.007711 lam= -0.007652
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.691994 meV Im[Sigma]= 66.248358 meV Z= 1.005564 lam= -0.005533
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.691994 meV Im[Sigma]= 66.248358 meV Z= 1.005564 lam= -0.005533
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345319 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188391 meV Im[Sigma]= 82.252927 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439392 meV Im[Sigma]= 82.433337 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659761 meV Im[Sigma]= 62.604092 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279457 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232893 meV Im[Sigma]= 140.046286 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307838 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -49.850440 meV Im[Sigma]= 56.593573 meV Z= 1.002218 lam= -0.002213
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.335994 meV Im[Sigma]= 53.675079 meV Z= 0.998225 lam= 0.001779
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.086574 meV Im[Sigma]= 163.957864 meV Z= 1.043231 lam= -0.041439
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.086574 meV Im[Sigma]= 163.957864 meV Z= 1.043231 lam= -0.041439
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604095 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267721 meV Im[Sigma]= 66.279456 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232892 meV Im[Sigma]= 140.046289 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307842 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477803 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378001 meV Im[Sigma]= 56.345323 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252925 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439396 meV Im[Sigma]= 82.433345 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477804 meV Im[Sigma]= 54.565992 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378000 meV Im[Sigma]= 56.345320 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188392 meV Im[Sigma]= 82.252922 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439393 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817774 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817774 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592744 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592744 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860907 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667180 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423794 meV Im[Sigma]= 90.620661 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932944 meV Im[Sigma]= 104.559459 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659762 meV Im[Sigma]= 62.604096 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267720 meV Im[Sigma]= 66.279451 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232893 meV Im[Sigma]= 140.046290 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757787 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610872 meV Im[Sigma]= 66.272145 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601851 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083497 meV Im[Sigma]= 121.881158 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303937 meV Im[Sigma]= 157.707825 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484720 meV Im[Sigma]= 58.374286 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599707 meV Im[Sigma]= 87.707419 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706111 meV Im[Sigma]= 143.417964 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659763 meV Im[Sigma]= 62.604092 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279456 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232890 meV Im[Sigma]= 140.046272 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860910 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667178 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620655 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559464 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869619 meV Im[Sigma]= 74.817774 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869619 meV Im[Sigma]= 74.817774 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844612 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844612 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378002 meV Im[Sigma]= 56.345319 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252921 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931661 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484721 meV Im[Sigma]= 58.374284 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599708 meV Im[Sigma]= 87.707416 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706110 meV Im[Sigma]= 143.417965 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610872 meV Im[Sigma]= 66.272140 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319608 meV Im[Sigma]= 55.601846 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083492 meV Im[Sigma]= 121.881159 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303936 meV Im[Sigma]= 157.707814 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957544 meV Im[Sigma]= 43.534534 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359419 meV Im[Sigma]= 43.322001 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978279 meV Im[Sigma]= 140.310709 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978279 meV Im[Sigma]= 140.310709 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610872 meV Im[Sigma]= 66.272140 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319607 meV Im[Sigma]= 55.601849 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083494 meV Im[Sigma]= 121.881161 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303929 meV Im[Sigma]= 157.707798 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513418 meV Im[Sigma]= 55.860422 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472720 meV Im[Sigma]= 60.161647 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121539 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514363 meV Im[Sigma]= 129.593253 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477808 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378001 meV Im[Sigma]= 56.345318 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252933 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433347 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537438 meV Im[Sigma]= 47.188326 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041716 meV Im[Sigma]= 107.218239 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477920 meV Im[Sigma]= 110.267342 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477920 meV Im[Sigma]= 110.267342 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738908 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705068 meV Im[Sigma]= 101.820778 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061707 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558217 meV Im[Sigma]= 166.879306 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610871 meV Im[Sigma]= 66.272141 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319608 meV Im[Sigma]= 55.601846 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083492 meV Im[Sigma]= 121.881161 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303940 meV Im[Sigma]= 157.707821 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659763 meV Im[Sigma]= 62.604093 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267717 meV Im[Sigma]= 66.279452 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232889 meV Im[Sigma]= 140.046279 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757789 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860912 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667179 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423795 meV Im[Sigma]= 90.620660 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932944 meV Im[Sigma]= 104.559465 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844619 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844619 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377998 meV Im[Sigma]= 56.345321 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188395 meV Im[Sigma]= 82.252934 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931661 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484716 meV Im[Sigma]= 58.374287 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707431 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417970 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513416 meV Im[Sigma]= 55.860423 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472718 meV Im[Sigma]= 60.161647 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121539 meV Im[Sigma]= 36.010188 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514364 meV Im[Sigma]= 129.593257 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733438 meV Im[Sigma]= 57.860910 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667179 meV Im[Sigma]= 62.462450 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620655 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932942 meV Im[Sigma]= 104.559465 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513411 meV Im[Sigma]= 55.860422 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472719 meV Im[Sigma]= 60.161648 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121542 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514364 meV Im[Sigma]= 129.593255 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733436 meV Im[Sigma]= 57.860908 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667176 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423797 meV Im[Sigma]= 90.620670 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932945 meV Im[Sigma]= 104.559459 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513411 meV Im[Sigma]= 55.860421 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472719 meV Im[Sigma]= 60.161648 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121542 meV Im[Sigma]= 36.010190 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514363 meV Im[Sigma]= 129.593256 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733439 meV Im[Sigma]= 57.860912 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667178 meV Im[Sigma]= 62.462449 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423799 meV Im[Sigma]= 90.620667 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932943 meV Im[Sigma]= 104.559462 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477804 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378000 meV Im[Sigma]= 56.345323 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188396 meV Im[Sigma]= 82.252932 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433344 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869616 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844619 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844619 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860910 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667175 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423798 meV Im[Sigma]= 90.620666 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932941 meV Im[Sigma]= 104.559461 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659761 meV Im[Sigma]= 62.604097 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267719 meV Im[Sigma]= 66.279452 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232892 meV Im[Sigma]= 140.046299 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757790 meV Im[Sigma]= 142.307841 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610868 meV Im[Sigma]= 66.272140 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319610 meV Im[Sigma]= 55.601848 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083496 meV Im[Sigma]= 121.881165 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303940 meV Im[Sigma]= 157.707826 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931658 meV Im[Sigma]= 68.505359 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484720 meV Im[Sigma]= 58.374290 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599713 meV Im[Sigma]= 87.707424 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706111 meV Im[Sigma]= 143.417973 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -57.537436 meV Im[Sigma]= 47.188326 meV Z= 0.997318 lam= 0.002689
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -16.041717 meV Im[Sigma]= 107.218241 meV Z= 1.007505 lam= -0.007449
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.477921 meV Im[Sigma]= 110.267343 meV Z= 1.019325 lam= -0.018959
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.477921 meV Im[Sigma]= 110.267343 meV Z= 1.019325 lam= -0.018959
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477805 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.378002 meV Im[Sigma]= 56.345322 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188393 meV Im[Sigma]= 82.252934 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439395 meV Im[Sigma]= 82.433344 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.513419 meV Im[Sigma]= 55.860423 meV Z= 1.001880 lam= -0.001876
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.472719 meV Im[Sigma]= 60.161646 meV Z= 1.005143 lam= -0.005117
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.121538 meV Im[Sigma]= 36.010189 meV Z= 0.992675 lam= 0.007379
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.514364 meV Im[Sigma]= 129.593256 meV Z= 1.021043 lam= -0.020609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610873 meV Im[Sigma]= 66.272144 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601848 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083495 meV Im[Sigma]= 121.881162 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303942 meV Im[Sigma]= 157.707826 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -56.957546 meV Im[Sigma]= 43.534535 meV Z= 1.004062 lam= -0.004045
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.359422 meV Im[Sigma]= 43.322003 meV Z= 0.990934 lam= 0.009149
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310726 meV Z= 1.020305 lam= -0.019900
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.978286 meV Im[Sigma]= 140.310726 meV Z= 1.020305 lam= -0.019900
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738908 meV Im[Sigma]= 43.177857 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705068 meV Im[Sigma]= 101.820779 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061720 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558214 meV Im[Sigma]= 166.879312 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738908 meV Im[Sigma]= 43.177857 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705067 meV Im[Sigma]= 101.820780 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167211 meV Im[Sigma]= 161.061717 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558205 meV Im[Sigma]= 166.879280 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931662 meV Im[Sigma]= 68.505361 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484718 meV Im[Sigma]= 58.374289 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599709 meV Im[Sigma]= 87.707427 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706108 meV Im[Sigma]= 143.417953 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733442 meV Im[Sigma]= 57.860912 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667179 meV Im[Sigma]= 62.462447 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423796 meV Im[Sigma]= 90.620662 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932944 meV Im[Sigma]= 104.559459 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931663 meV Im[Sigma]= 68.505363 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484719 meV Im[Sigma]= 58.374283 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707419 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417974 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705069 meV Im[Sigma]= 101.820779 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167211 meV Im[Sigma]= 161.061722 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558211 meV Im[Sigma]= 166.879309 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965184 meV Im[Sigma]= 35.445212 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986138 meV Im[Sigma]= 150.049327 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636210 meV Im[Sigma]= 162.743638 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477091 meV Im[Sigma]= 85.695493 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6564 eV Re[Sigma]= -66.956074 meV Im[Sigma]= 14.962730 meV Z= 0.996956 lam= 0.003054
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.492394 meV Im[Sigma]= 183.691373 meV Z= 1.046931 lam= -0.044827
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.970542 meV Im[Sigma]= 77.014763 meV Z= 1.003110 lam= -0.003100
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.970542 meV Im[Sigma]= 77.014763 meV Z= 1.003110 lam= -0.003100
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965185 meV Im[Sigma]= 35.445213 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986144 meV Im[Sigma]= 150.049334 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636206 meV Im[Sigma]= 162.743645 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477079 meV Im[Sigma]= 85.695477 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610873 meV Im[Sigma]= 66.272141 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601850 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083493 meV Im[Sigma]= 121.881164 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303940 meV Im[Sigma]= 157.707814 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659764 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267718 meV Im[Sigma]= 66.279452 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232895 meV Im[Sigma]= 140.046293 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757792 meV Im[Sigma]= 142.307848 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705068 meV Im[Sigma]= 101.820776 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167213 meV Im[Sigma]= 161.061725 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558219 meV Im[Sigma]= 166.879314 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.071590 meV Im[Sigma]= 17.268016 meV Z= 0.996120 lam= 0.003896
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.749790 meV Im[Sigma]= 129.805948 meV Z= 1.008752 lam= -0.008676
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.921032 meV Im[Sigma]= 117.001827 meV Z= 1.006997 lam= -0.006948
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.921032 meV Im[Sigma]= 117.001827 meV Z= 1.006997 lam= -0.006948
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965185 meV Im[Sigma]= 35.445213 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986144 meV Im[Sigma]= 150.049322 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636204 meV Im[Sigma]= 162.743646 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477095 meV Im[Sigma]= 85.695493 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738911 meV Im[Sigma]= 43.177860 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705065 meV Im[Sigma]= 101.820776 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167210 meV Im[Sigma]= 161.061721 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558208 meV Im[Sigma]= 166.879307 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931664 meV Im[Sigma]= 68.505364 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484719 meV Im[Sigma]= 58.374290 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599713 meV Im[Sigma]= 87.707427 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417969 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733440 meV Im[Sigma]= 57.860907 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667180 meV Im[Sigma]= 62.462448 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423793 meV Im[Sigma]= 90.620666 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932942 meV Im[Sigma]= 104.559471 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931660 meV Im[Sigma]= 68.505362 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374286 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599714 meV Im[Sigma]= 87.707443 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706113 meV Im[Sigma]= 143.417971 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705067 meV Im[Sigma]= 101.820782 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061724 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558214 meV Im[Sigma]= 166.879316 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610872 meV Im[Sigma]= 66.272139 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319605 meV Im[Sigma]= 55.601851 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083496 meV Im[Sigma]= 121.881168 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303943 meV Im[Sigma]= 157.707826 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931663 meV Im[Sigma]= 68.505361 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374287 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599712 meV Im[Sigma]= 87.707424 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706113 meV Im[Sigma]= 143.417977 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477809 meV Im[Sigma]= 54.565989 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345320 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188398 meV Im[Sigma]= 82.252928 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439396 meV Im[Sigma]= 82.433345 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869617 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844618 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592747 meV Im[Sigma]= 69.844618 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733437 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667175 meV Im[Sigma]= 62.462451 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423799 meV Im[Sigma]= 90.620668 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932942 meV Im[Sigma]= 104.559462 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659760 meV Im[Sigma]= 62.604094 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267717 meV Im[Sigma]= 66.279458 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232892 meV Im[Sigma]= 140.046296 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757792 meV Im[Sigma]= 142.307849 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659761 meV Im[Sigma]= 62.604096 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267721 meV Im[Sigma]= 66.279450 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232894 meV Im[Sigma]= 140.046297 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757790 meV Im[Sigma]= 142.307844 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733441 meV Im[Sigma]= 57.860907 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667177 meV Im[Sigma]= 62.462450 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423795 meV Im[Sigma]= 90.620670 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932945 meV Im[Sigma]= 104.559466 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.869620 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.869620 meV Im[Sigma]= 74.817775 meV Z= 1.012768 lam= -0.012607
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.592745 meV Im[Sigma]= 69.844615 meV Z= 1.011867 lam= -0.011727
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.477806 meV Im[Sigma]= 54.565990 meV Z= 1.000115 lam= -0.000115
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.377999 meV Im[Sigma]= 56.345318 meV Z= 1.000417 lam= -0.000417
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.188394 meV Im[Sigma]= 82.252937 meV Z= 1.017752 lam= -0.017442
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.439396 meV Im[Sigma]= 82.433343 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931658 meV Im[Sigma]= 68.505362 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484717 meV Im[Sigma]= 58.374286 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599713 meV Im[Sigma]= 87.707434 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417969 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610869 meV Im[Sigma]= 66.272142 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319609 meV Im[Sigma]= 55.601848 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083497 meV Im[Sigma]= 121.881165 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303942 meV Im[Sigma]= 157.707825 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705067 meV Im[Sigma]= 101.820778 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061718 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558218 meV Im[Sigma]= 166.879317 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931661 meV Im[Sigma]= 68.505364 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484719 meV Im[Sigma]= 58.374289 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599714 meV Im[Sigma]= 87.707436 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706112 meV Im[Sigma]= 143.417970 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.733439 meV Im[Sigma]= 57.860911 meV Z= 0.999762 lam= 0.000239
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.667179 meV Im[Sigma]= 62.462452 meV Z= 1.008328 lam= -0.008259
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.423794 meV Im[Sigma]= 90.620667 meV Z= 1.018796 lam= -0.018449
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.932945 meV Im[Sigma]= 104.559467 meV Z= 1.019678 lam= -0.019298
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3840 eV Re[Sigma]= -47.931662 meV Im[Sigma]= 68.505362 meV Z= 1.012206 lam= -0.012059
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.484716 meV Im[Sigma]= 58.374284 meV Z= 0.994038 lam= 0.005998
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.599708 meV Im[Sigma]= 87.707425 meV Z= 1.015633 lam= -0.015392
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.706114 meV Im[Sigma]= 143.417970 meV Z= 1.027685 lam= -0.026939
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738909 meV Im[Sigma]= 43.177859 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705068 meV Im[Sigma]= 101.820781 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167210 meV Im[Sigma]= 161.061716 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558221 meV Im[Sigma]= 166.879323 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965183 meV Im[Sigma]= 35.445212 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986144 meV Im[Sigma]= 150.049332 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636206 meV Im[Sigma]= 162.743656 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477098 meV Im[Sigma]= 85.695498 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.071589 meV Im[Sigma]= 17.268015 meV Z= 0.996120 lam= 0.003896
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.749789 meV Im[Sigma]= 129.805939 meV Z= 1.008752 lam= -0.008676
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.921036 meV Im[Sigma]= 117.001832 meV Z= 1.006997 lam= -0.006948
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.921036 meV Im[Sigma]= 117.001832 meV Z= 1.006997 lam= -0.006948
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5798 eV Re[Sigma]= -59.738910 meV Im[Sigma]= 43.177858 meV Z= 1.007120 lam= -0.007069
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.705069 meV Im[Sigma]= 101.820788 meV Z= 1.010369 lam= -0.010262
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.167212 meV Im[Sigma]= 161.061713 meV Z= 1.029125 lam= -0.028300
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.558211 meV Im[Sigma]= 166.879305 meV Z= 1.042501 lam= -0.040768
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.659761 meV Im[Sigma]= 62.604097 meV Z= 1.005133 lam= -0.005107
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.267722 meV Im[Sigma]= 66.279457 meV Z= 1.012006 lam= -0.011863
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.232891 meV Im[Sigma]= 140.046289 meV Z= 1.023176 lam= -0.022651
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.757791 meV Im[Sigma]= 142.307845 meV Z= 1.026519 lam= -0.025834
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.610874 meV Im[Sigma]= 66.272142 meV Z= 1.014628 lam= -0.014417
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.319604 meV Im[Sigma]= 55.601848 meV Z= 1.004801 lam= -0.004778
|
|
E( 3 )= -5.2837 eV Re[Sigma]= -0.083495 meV Im[Sigma]= 121.881162 meV Z= 1.022861 lam= -0.022350
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.303942 meV Im[Sigma]= 157.707823 meV Z= 1.040364 lam= -0.038798
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -66.965186 meV Im[Sigma]= 35.445214 meV Z= 1.001175 lam= -0.001174
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.986140 meV Im[Sigma]= 150.049323 meV Z= 1.027921 lam= -0.027162
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 39.636206 meV Im[Sigma]= 162.743646 meV Z= 1.028941 lam= -0.028127
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.477099 meV Im[Sigma]= 85.695496 meV Z= 1.005621 lam= -0.005590
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6564 eV Re[Sigma]= -66.956075 meV Im[Sigma]= 14.962729 meV Z= 0.996956 lam= 0.003054
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.492396 meV Im[Sigma]= 183.691379 meV Z= 1.046931 lam= -0.044827
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.970551 meV Im[Sigma]= 77.014772 meV Z= 1.003110 lam= -0.003100
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.970551 meV Im[Sigma]= 77.014772 meV Z= 1.003110 lam= -0.003100
|
|
-------------------------------------------------------------------
|
|
|
|
1 1 -21.5311 -64.6706 5.2828 0.9926 0.0074
|
|
2 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
3 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
4 1 -15.3937 -49.8504 56.5936 1.0022 -0.0022
|
|
5 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
6 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
7 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
8 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
9 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
10 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
11 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
12 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
13 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
14 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
15 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
16 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
17 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
18 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
19 1 -15.3937 -49.8504 56.5936 1.0022 -0.0022
|
|
20 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
21 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
22 1 -12.6700 -25.6816 72.6585 1.0077 -0.0077
|
|
23 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
24 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
25 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
26 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
27 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
28 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
29 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
30 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
31 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
32 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
33 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
34 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
35 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
36 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
37 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
38 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
39 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
40 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
41 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
42 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
43 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
44 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
45 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
46 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
47 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
48 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
49 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
50 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
51 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
52 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
53 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
54 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
55 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
56 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
57 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
58 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
59 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
60 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
61 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
62 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
63 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
64 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
65 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
66 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
67 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
68 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
69 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
70 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
71 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
72 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
73 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
74 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
75 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
76 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
77 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
78 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
79 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
80 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
81 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
82 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
83 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
84 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
85 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
86 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
87 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
88 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
89 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
90 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
91 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
92 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
93 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
94 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
95 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
96 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
97 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
98 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
99 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
100 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
101 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
102 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
103 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
104 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
105 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
106 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
107 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
108 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
109 1 -15.3937 -49.8504 56.5936 1.0022 -0.0022
|
|
110 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
111 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
112 1 -12.6700 -25.6816 72.6585 1.0077 -0.0077
|
|
113 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
114 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
115 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
116 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
117 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
118 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
119 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
120 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
121 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
122 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
123 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
124 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
125 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
126 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
127 1 -12.6700 -25.6816 72.6585 1.0077 -0.0077
|
|
128 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
129 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
130 1 -15.3937 -49.8504 56.5936 1.0022 -0.0022
|
|
131 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
132 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
133 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
134 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
135 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
136 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
137 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
138 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
139 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
140 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
141 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
142 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
143 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
144 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
145 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
146 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
147 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
148 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
149 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
150 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
151 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
152 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
153 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
154 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
155 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
156 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
157 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
158 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
159 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
160 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
161 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
162 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
163 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
164 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
165 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
166 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
167 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
168 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
169 1 -17.3627 -57.5374 47.1883 0.9973 0.0027
|
|
170 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
171 1 -13.7470 -38.5134 55.8604 1.0019 -0.0019
|
|
172 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
173 1 -18.3959 -56.9575 43.5345 1.0041 -0.0040
|
|
174 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
175 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
176 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
177 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
178 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
179 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
180 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
181 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
182 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
183 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
184 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
185 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
186 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
187 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
188 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
189 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
190 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
191 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
192 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
193 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
194 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
195 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
196 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
197 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
198 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
199 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
200 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
201 1 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
|
202 1 -14.7539 -33.4778 54.5660 1.0001 -0.0001
|
|
203 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
204 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
205 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
206 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
207 1 -13.5146 -44.7334 57.8609 0.9998 0.0002
|
|
208 1 -16.3840 -47.9317 68.5054 1.0122 -0.0121
|
|
209 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
210 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
211 1 -20.3785 -67.0716 17.2680 0.9961 0.0039
|
|
212 1 -18.5798 -59.7389 43.1779 1.0071 -0.0071
|
|
213 1 -15.5807 -40.6598 62.6041 1.0051 -0.0051
|
|
214 1 -16.6834 -52.6109 66.2721 1.0146 -0.0144
|
|
215 1 -19.3208 -66.9652 35.4452 1.0012 -0.0012
|
|
216 1 -20.6564 -66.9561 14.9627 0.9970 0.0031
|
|
|
|
1 2 0.3164 143.0847 40.7103 0.9826 0.0177
|
|
2 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
3 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
|
|
4 2 -14.3295 1.3360 53.6751 0.9982 0.0018
|
|
5 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
|
|
6 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
7 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
8 2 -1.6787 118.7498 129.8059 1.0088 -0.0087
|
|
9 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
10 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
11 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
12 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
13 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
|
|
14 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
15 2 -6.7571 -16.0417 107.2182 1.0075 -0.0074
|
|
16 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
17 2 -10.6613 -17.4727 60.1616 1.0051 -0.0051
|
|
18 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
19 2 -14.3295 1.3360 53.6751 0.9982 0.0018
|
|
20 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
21 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
22 2 -12.6700 -25.6816 72.6585 1.0077 -0.0077
|
|
23 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
24 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
25 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
|
|
26 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
27 2 -10.6613 -17.4727 60.1616 1.0051 -0.0051
|
|
28 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
29 2 -6.7571 -16.0417 107.2182 1.0075 -0.0074
|
|
30 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
31 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
32 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
33 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
|
|
34 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
35 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
36 2 -1.6787 118.7498 129.8059 1.0088 -0.0087
|
|
37 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
38 2 -1.6787 118.7498 129.8059 1.0088 -0.0087
|
|
39 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
40 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
41 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
42 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
43 2 -1.6787 118.7498 129.8060 1.0088 -0.0087
|
|
44 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
45 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
46 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
47 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
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|
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|
|
50 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
51 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
52 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
|
|
53 2 -11.9136 -2.6672 62.4625 1.0083 -0.0083
|
|
54 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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55 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
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|
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|
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|
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|
68 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
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|
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|
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80 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
81 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
82 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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83 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
|
84 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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85 2 -6.7571 -16.0417 107.2182 1.0075 -0.0074
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|
86 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
87 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
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88 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
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89 2 -10.6613 -17.4727 60.1616 1.0051 -0.0051
|
|
90 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
91 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
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|
92 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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93 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
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94 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
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96 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
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103 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
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104 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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105 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
106 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
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|
|
108 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
109 2 -14.3295 1.3360 53.6751 0.9982 0.0018
|
|
110 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
111 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
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112 2 -12.6700 -25.6816 72.6585 1.0077 -0.0077
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114 2 -12.3954 -10.2677 66.2794 1.0120 -0.0119
|
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117 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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|
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119 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
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120 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
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122 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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124 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
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125 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
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126 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
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127 2 -12.6700 -25.6816 72.6585 1.0077 -0.0077
|
|
128 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
129 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
130 2 -14.3295 1.3360 53.6751 0.9982 0.0018
|
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131 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
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|
132 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
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133 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
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134 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
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135 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
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136 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
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137 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
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138 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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139 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
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140 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
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141 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
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142 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
143 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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144 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
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152 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
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|
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154 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
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155 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
156 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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157 2 -10.6613 -17.4727 60.1616 1.0051 -0.0051
|
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158 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
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|
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163 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
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167 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
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168 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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|
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170 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
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172 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
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173 2 -9.2172 -17.3594 43.3220 0.9909 0.0091
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174 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
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175 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
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176 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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177 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
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178 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
|
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179 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
180 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
181 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
182 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
183 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
|
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184 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
185 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
186 2 -1.6787 118.7498 129.8059 1.0088 -0.0087
|
|
187 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
188 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
189 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
|
|
190 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
|
191 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
|
|
192 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
193 2 -10.6236 -9.3196 55.6019 1.0048 -0.0048
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|
194 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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195 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
196 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
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|
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198 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
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199 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
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200 2 -11.9136 -2.6672 62.4624 1.0083 -0.0083
|
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201 2 -11.9767 -22.8696 74.8178 1.0128 -0.0126
|
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202 2 -10.1159 -14.3780 56.3453 1.0004 -0.0004
|
|
203 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
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205 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
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|
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207 2 -11.9136 -2.6672 62.4625 1.0083 -0.0083
|
|
208 2 -8.5864 -26.4847 58.3743 0.9940 0.0060
|
|
209 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
210 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
211 2 -1.6787 118.7498 129.8059 1.0088 -0.0087
|
|
212 2 -6.8153 -8.7051 101.8208 1.0104 -0.0103
|
|
213 2 -12.3954 -10.2677 66.2795 1.0120 -0.0119
|
|
214 2 -10.6236 -9.3196 55.6018 1.0048 -0.0048
|
|
215 2 -5.1780 3.9861 150.0493 1.0279 -0.0272
|
|
216 2 -2.7023 87.4924 183.6914 1.0469 -0.0448
|
|
|
|
1 3 0.3164 143.0847 40.7103 0.9826 0.0177
|
|
2 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
3 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
4 3 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
5 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
6 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
7 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
8 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
9 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
10 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
11 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
12 3 -3.7366 39.6362 162.7437 1.0289 -0.0281
|
|
13 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
14 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
15 3 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
16 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
17 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
18 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
19 3 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
20 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
21 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
22 3 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
23 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
24 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
25 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
26 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
27 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
28 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
29 3 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
30 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
31 3 -0.4637 132.9706 77.0148 1.0031 -0.0031
|
|
32 3 -3.7366 39.6362 162.7437 1.0289 -0.0281
|
|
33 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
34 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
35 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
36 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
37 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
38 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
39 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
40 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
41 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
42 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
43 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
44 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
45 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
46 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
47 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
48 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
49 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
50 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
51 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
52 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
53 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
54 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
55 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
56 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
57 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
58 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
59 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
60 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
61 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
62 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
63 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
64 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
65 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
66 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
67 3 -3.7366 39.6362 162.7437 1.0289 -0.0281
|
|
68 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
69 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
70 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
71 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
72 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
73 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
74 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
75 3 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
76 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
77 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
78 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
79 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
80 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
81 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
82 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
83 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
84 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
85 3 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
86 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
87 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
88 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
89 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
90 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
91 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
92 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
93 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
94 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
95 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
96 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
97 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
98 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
99 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
100 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
101 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
102 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
103 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
104 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
105 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
106 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
107 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
108 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
109 3 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
110 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
111 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
112 3 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
113 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
114 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
115 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
116 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
117 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
118 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
119 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
120 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
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|
|
122 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
123 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
124 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
125 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
126 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
127 3 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
128 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
129 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
130 3 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
131 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
132 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
133 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
134 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
135 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
136 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
137 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
138 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
139 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
140 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
141 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
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|
|
143 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
144 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
145 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
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|
146 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
147 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
148 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
149 3 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
150 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
151 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
152 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
153 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
154 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
155 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
156 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
157 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
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|
|
159 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
160 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
161 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
162 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
163 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
164 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
165 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
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166 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
167 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
168 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
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|
|
170 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
171 3 -9.4560 -0.1215 36.0102 0.9927 0.0074
|
|
172 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
173 3 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
174 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
175 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
176 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
177 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
178 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
179 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
180 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
181 3 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
182 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
183 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
184 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
185 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
186 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
187 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
188 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
189 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
190 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
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|
|
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|
|
193 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
194 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
195 3 -7.3620 -9.1884 82.2529 1.0178 -0.0174
|
|
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|
|
197 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
198 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
199 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
200 3 -7.5784 -17.4238 90.6207 1.0188 -0.0184
|
|
201 3 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
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|
|
203 3 -7.0104 -4.5997 87.7074 1.0156 -0.0154
|
|
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|
|
205 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
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|
|
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|
|
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|
|
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|
|
210 3 -3.7366 39.6362 162.7437 1.0289 -0.0281
|
|
211 3 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
212 3 -3.3726 47.1672 161.0617 1.0291 -0.0283
|
|
213 3 -4.5402 13.2329 140.0463 1.0232 -0.0227
|
|
214 3 -5.2837 -0.0835 121.8812 1.0229 -0.0223
|
|
215 3 -3.7366 39.6362 162.7436 1.0289 -0.0281
|
|
216 3 -0.4637 132.9706 77.0148 1.0031 -0.0031
|
|
|
|
1 4 0.3164 143.0847 40.7103 0.9826 0.0177
|
|
2 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
3 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
4 4 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
5 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
6 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
7 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
8 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
9 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
10 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
11 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
12 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
13 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
14 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
15 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
16 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
17 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
18 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
19 4 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
20 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
21 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
22 4 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
23 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
24 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
25 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
26 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
27 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
28 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
29 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
30 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
31 4 -0.4637 132.9706 77.0148 1.0031 -0.0031
|
|
32 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
33 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
34 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
35 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
36 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
37 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
38 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
39 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
40 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
41 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
42 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
43 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
44 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
45 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
46 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
47 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
48 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
49 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
50 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
51 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
52 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
53 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
54 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
55 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
56 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
57 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
58 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
59 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
60 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
61 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
62 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
63 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
64 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
65 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
66 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
67 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
68 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
69 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
70 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
71 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
72 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
73 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
74 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
75 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
76 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
77 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
78 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
79 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
80 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
81 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
82 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
83 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
84 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
85 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
86 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
87 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
88 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
89 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
90 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
91 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
92 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
93 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
94 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
95 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
96 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
97 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
98 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
99 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
100 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
101 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
102 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
103 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
104 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
105 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
106 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
107 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
108 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
109 4 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
110 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
111 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
112 4 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
113 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
114 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
115 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
116 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
117 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
118 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
119 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
120 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
121 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
122 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
123 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
124 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
125 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
126 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
127 4 -6.7479 -1.6920 66.2484 1.0056 -0.0055
|
|
128 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
129 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
130 4 -2.9337 56.0866 163.9579 1.0432 -0.0414
|
|
131 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
132 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
133 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
134 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
135 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
136 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
137 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
138 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
139 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
140 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
141 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
142 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
143 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
144 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
145 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
146 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
147 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
148 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
149 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
150 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
151 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
152 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
153 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
154 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
155 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
156 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
157 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
158 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
159 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
160 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
161 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
162 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
163 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
164 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
165 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
166 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
167 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
168 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
169 4 -5.2091 1.4779 110.2673 1.0193 -0.0190
|
|
170 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
171 4 -4.5536 11.5144 129.5933 1.0210 -0.0206
|
|
172 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
173 4 -2.0888 95.9783 140.3107 1.0203 -0.0199
|
|
174 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
175 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
176 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
177 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
178 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
179 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
180 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
181 4 -0.4637 132.9705 77.0148 1.0031 -0.0031
|
|
182 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
183 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
184 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
185 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
186 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
187 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
188 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
189 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
190 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
191 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
192 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
193 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
194 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
195 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
196 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
197 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
198 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
199 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
200 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
201 4 -7.6378 -9.5927 69.8446 1.0119 -0.0117
|
|
202 4 -5.8087 -6.4394 82.4333 1.0067 -0.0067
|
|
203 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
204 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
205 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
206 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
207 4 -5.4111 -0.9329 104.5595 1.0197 -0.0193
|
|
208 4 -4.0915 25.7061 143.4180 1.0277 -0.0269
|
|
209 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
210 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
211 4 -1.6770 112.9210 117.0018 1.0070 -0.0069
|
|
212 4 -2.6774 78.5582 166.8793 1.0425 -0.0408
|
|
213 4 -3.9016 27.7578 142.3078 1.0265 -0.0258
|
|
214 4 -2.6703 72.3039 157.7078 1.0404 -0.0388
|
|
215 4 -0.9280 116.4771 85.6955 1.0056 -0.0056
|
|
216 4 -0.4637 132.9706 77.0148 1.0031 -0.0031
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 62Mb
|
|
VmPeak = 3795Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.02s CPU 0.02s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
init_vloc : 0.02s CPU 0.02s WALL ( 1 calls)
|
|
init_us_1 : 0.02s CPU 0.02s WALL ( 1 calls)
|
|
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 1.85s CPU 1.96s WALL ( 1 calls)
|
|
ep-interp : 1.33s CPU 1.42s WALL ( 216 calls)
|
|
|
|
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
Ham: step 2 : 0.09s CPU 0.09s WALL ( 1 calls)
|
|
ep: step 1 : 0.00s CPU 0.00s WALL ( 27 calls)
|
|
ep: step 2 : 0.01s CPU 0.01s WALL ( 27 calls)
|
|
DynW2B : 0.00s CPU 0.00s WALL ( 216 calls)
|
|
HamW2B : 0.27s CPU 0.29s WALL ( 23490 calls)
|
|
ephW2Bp : 0.28s CPU 0.32s WALL ( 216 calls)
|
|
ephW2B : 0.25s CPU 0.26s WALL ( 11664 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 1.98s CPU 2.11s WALL
|
|
|
|
% Copyright (C) 2016-2023 EPW-Collaboration
|
|
|
|
===============================================================================
|
|
Please consider citing the following papers.
|
|
|
|
% Paper describing the method on which EPW relies
|
|
F. Giustino and M. L. Cohen and S. G. Louie, Phys. Rev. B 76, 165108 (2007)
|
|
|
|
% Papers describing the EPW software
|
|
H. Lee et al., npj Comput. Mater. 9, 156 (2023)
|
|
S. Ponc\'e, E.R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
|
|
J. Noffsinger et al., Comput. Phys. Commun. 181, 2140 (2010)
|
|
|
|
|
|
For your convenience, this information is also reported in the
|
|
functionality-dependent EPW.bib file.
|
|
===============================================================================
|
|
|