mirror of https://gitlab.com/QEF/q-e.git
2876 lines
199 KiB
Plaintext
2876 lines
199 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 13:47:42
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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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34425 MiB available memory on the printing compute node when the environment starts
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Reading input from epw1.in
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Reading supplied temperature list.
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Reading xml data from directory:
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./sic.save/
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file C.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 187 187 73 1687 1687 387
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Using Slab Decomposition
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Reading collected, re-writing distributed wavefunctions
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--
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bravais-lattice index = 2
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lattice parameter (a_0) = 8.2370 a.u.
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unit-cell volume = 139.7163 (a.u.)^3
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number of atoms/cell = 2
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number of atomic types = 2
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kinetic-energy cut-off = 20.0000 Ry
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charge density cut-off = 80.0000 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)= 8.23700 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 Si 28.0855 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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25 Sym.Ops. (with q -> -q+G )
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G cutoff = 137.4891 ( 1687 G-vectors) FFT grid: ( 18, 18, 18)
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number of k points= 27
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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 Si read from file:
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../../pseudo/Si.pz-vbc.UPF
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MD5 check sum: 9f25e6ff280f3123e9b3a84715b2e9c9
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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 431 points, 2 beta functions with:
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l(1) = 0
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l(2) = 1
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PseudoPot. # 2 for C read from file:
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../../pseudo/C.UPF
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MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
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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 : 0.12s CPU 0.14s WALL
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EPW : 0.12s CPU 0.14s WALL
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-------------------------------------------------------------------
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Wannierization on 3 x 3 x 3 electronic grid
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-------------------------------------------------------------------
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Spin CASE ( default = unpolarized )
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Initializing Wannier90
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Initial Wannier projections
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( 0.00000 0.00000 0.00000) : l = -3 mr = 1
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( 0.00000 0.00000 0.00000) : l = -3 mr = 2
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( 0.00000 0.00000 0.00000) : l = -3 mr = 3
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( 0.00000 0.00000 0.00000) : l = -3 mr = 4
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- Number of bands is ( 8)
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- Number of total bands is ( 8)
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- Number of excluded bands is ( 0)
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- Number of wannier functions is ( 4)
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- All guiding functions are given
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Reading data about k-point neighbours
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- All neighbours are found
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AMN
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k points = 27 in 4 pools
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1 of 7 on ionode
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2 of 7 on ionode
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3 of 7 on ionode
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4 of 7 on ionode
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5 of 7 on ionode
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6 of 7 on ionode
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7 of 7 on ionode
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AMN calculated
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MMN
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k points = 27 in 4 pools
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1 of 7 on ionode
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2 of 7 on ionode
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3 of 7 on ionode
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4 of 7 on ionode
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5 of 7 on ionode
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6 of 7 on ionode
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7 of 7 on ionode
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MMN calculated
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Running Wannier90
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Wannier Function centers (cartesian, alat) and spreads (ang):
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( 0.16068 0.16068 0.16068) : 0.89056
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( 0.16068 -0.16068 -0.16068) : 0.89056
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( -0.16068 0.16068 -0.16068) : 0.89056
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( -0.16068 -0.16068 0.16068) : 0.89056
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-------------------------------------------------------------------
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WANNIER : 0.61s CPU 0.64s WALL ( 1 calls)
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-------------------------------------------------------------------
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Dipole matrix elements calculated
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Calculating kgmap
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Progress kgmap: ########################################
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kmaps : 0.01s CPU 0.01s WALL ( 1 calls)
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Symmetries of Bravais lattice: 48
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Symmetries of crystal: 24
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===================================================================
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irreducible q point # 1
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===================================================================
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Symmetries of small group of q: 24
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in addition sym. q -> -q+G:
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Number of q in the star = 1
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List of q in the star:
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1 0.000000000 0.000000000 0.000000000
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Imposing acoustic sum rule on the dynamical matrix
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Read dielectric tensor and effective charges
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q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )
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===================================================================
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irreducible q point # 2
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===================================================================
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Symmetries of small group of q: 6
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Number of q in the star = 4
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List of q in the star:
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1 -0.333333333 0.333333333 -0.333333333
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2 0.333333333 0.333333333 0.333333333
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3 0.333333333 -0.333333333 -0.333333333
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4 -0.333333333 -0.333333333 0.333333333
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In addition there is the -q list:
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1 0.333333333 -0.333333333 0.333333333
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2 -0.333333333 -0.333333333 -0.333333333
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3 -0.333333333 0.333333333 0.333333333
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4 0.333333333 0.333333333 -0.333333333
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Message from routine init_vloc:
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Interpolation table for Vloc re-allocated
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q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 )
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q( 3 ) = ( 0.3333333 -0.3333333 0.3333333 )
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q( 4 ) = ( 0.3333333 0.3333333 0.3333333 )
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q( 5 ) = ( -0.3333333 -0.3333333 -0.3333333 )
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q( 6 ) = ( 0.3333333 -0.3333333 -0.3333333 )
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q( 7 ) = ( -0.3333333 0.3333333 0.3333333 )
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q( 8 ) = ( -0.3333333 -0.3333333 0.3333333 )
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q( 9 ) = ( 0.3333333 0.3333333 -0.3333333 )
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===================================================================
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irreducible q point # 3
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===================================================================
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Symmetries of small group of q: 4
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Number of q in the star = 6
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List of q in the star:
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1 0.000000000 0.666666667 0.000000000
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2 0.000000000 0.000000000 -0.666666667
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3 -0.666666667 0.000000000 0.000000000
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4 0.666666667 0.000000000 0.000000000
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5 0.000000000 -0.666666667 0.000000000
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6 0.000000000 0.000000000 0.666666667
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q( 10 ) = ( 0.0000000 0.6666667 0.0000000 )
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q( 11 ) = ( 0.0000000 0.0000000 -0.6666667 )
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q( 12 ) = ( -0.6666667 0.0000000 0.0000000 )
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q( 13 ) = ( 0.6666667 0.0000000 0.0000000 )
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q( 14 ) = ( 0.0000000 -0.6666667 0.0000000 )
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q( 15 ) = ( 0.0000000 0.0000000 0.6666667 )
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===================================================================
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irreducible q point # 4
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===================================================================
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Symmetries of small group of q: 2
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Number of q in the star = 12
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List of q in the star:
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1 0.666666667 0.000000000 0.666666667
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2 -0.666666667 0.000000000 -0.666666667
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3 0.666666667 -0.666666667 0.000000000
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4 0.000000000 -0.666666667 0.666666667
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5 0.000000000 -0.666666667 -0.666666667
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6 -0.666666667 0.000000000 0.666666667
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7 0.666666667 0.666666667 0.000000000
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8 -0.666666667 -0.666666667 0.000000000
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9 -0.666666667 0.666666667 0.000000000
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10 0.666666667 0.000000000 -0.666666667
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11 0.000000000 0.666666667 0.666666667
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12 0.000000000 0.666666667 -0.666666667
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q( 16 ) = ( 0.6666667 0.0000000 0.6666667 )
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q( 17 ) = ( -0.6666667 0.0000000 -0.6666667 )
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q( 18 ) = ( 0.6666667 -0.6666667 0.0000000 )
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q( 19 ) = ( 0.0000000 -0.6666667 0.6666667 )
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q( 20 ) = ( -0.0000000 -0.6666667 -0.6666667 )
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q( 21 ) = ( -0.6666667 0.0000000 0.6666667 )
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q( 22 ) = ( 0.6666667 0.6666667 0.0000000 )
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q( 23 ) = ( -0.6666667 -0.6666667 0.0000000 )
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q( 24 ) = ( -0.6666667 0.6666667 0.0000000 )
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q( 25 ) = ( 0.6666667 0.0000000 -0.6666667 )
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q( 26 ) = ( 0.0000000 0.6666667 0.6666667 )
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q( 27 ) = ( 0.0000000 0.6666667 -0.6666667 )
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Writing epmatq on .epb files
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The .epb files have been correctly written
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Band disentanglement is used: nbndsub = 4
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Computes the analytic long-range interaction for polar materials [lpolar]
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Use zone-centred Wigner-Seitz cells
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Number of WS vectors for electrons 43
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Number of WS vectors for phonons 43
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Number of WS vectors for electron-phonon 43
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Maximum number of cores for efficient parallelization 258
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Results may improve by using use_ws == .TRUE.
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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 / 11
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Bloch2wanp: 2 / 11
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Bloch2wanp: 3 / 11
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Bloch2wanp: 4 / 11
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Bloch2wanp: 5 / 11
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Bloch2wanp: 6 / 11
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Bloch2wanp: 7 / 11
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Bloch2wanp: 8 / 11
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Bloch2wanp: 9 / 11
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Bloch2wanp: 10 / 11
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Bloch2wanp: 11 / 11
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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 = 66Mb
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VmPeak = 3794Mb
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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 = 10.054876 eV
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Fermi energy is calculated from the fine k-mesh: Ef = 10.487109 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 = 2 ebndmin = 8.675 eV
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ibndmax = 4 ebndmax = 10.055 eV
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Number of ep-matrix elements per pool : 2916 ~= 22.78 Kb (@ 8 bytes/ DP)
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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 = 2.000000 eV
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Golden Rule strictly enforced with T = 0.025852 eV
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Gaussian Broadening: 0.100000 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
|
|
|
|
ik = 1 coord.: 0.0000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -0.4322 eV Re[Sigma]= 54.517082 meV Im[Sigma]= 4.277557 meV Z= 0.928512 lam= 0.076992
|
|
E( 3 )= -0.4322 eV Re[Sigma]= 54.517082 meV Im[Sigma]= 4.277557 meV Z= 0.928512 lam= 0.076992
|
|
E( 4 )= -0.4322 eV Re[Sigma]= 54.517082 meV Im[Sigma]= 4.277557 meV Z= 0.928512 lam= 0.076992
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 2 coord.: 0.0000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624873 meV Im[Sigma]= 21.572333 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454577 meV Im[Sigma]= 52.186615 meV Z= 0.979611 lam= 0.020814
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454577 meV Im[Sigma]= 52.186615 meV Z= 0.979611 lam= 0.020814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190001 meV Im[Sigma]= 10.691741 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451596 meV Im[Sigma]= 85.859608 meV Z= 1.126939 lam= -0.112640
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451596 meV Im[Sigma]= 85.859608 meV Z= 1.126939 lam= -0.112640
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.7707 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190133 meV Im[Sigma]= 10.691873 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858229 meV Z= 1.126936 lam= -0.112638
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858229 meV Z= 1.126936 lam= -0.112638
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624836 meV Im[Sigma]= 21.572604 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454000 meV Im[Sigma]= 52.186007 meV Z= 0.979610 lam= 0.020815
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454000 meV Im[Sigma]= 52.186007 meV Z= 0.979610 lam= 0.020815
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -3.981858 meV Im[Sigma]= 20.578223 meV Z= 0.936081 lam= 0.068284
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 67.349647 meV Im[Sigma]= 54.053777 meV Z= 0.989205 lam= 0.010913
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 67.349647 meV Im[Sigma]= 54.053777 meV Z= 0.989205 lam= 0.010913
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165127 meV Im[Sigma]= 23.360957 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204535 meV Im[Sigma]= 51.636864 meV Z= 1.114993 lam= -0.103134
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503088 meV Im[Sigma]= 40.241191 meV Z= 1.054523 lam= -0.051704
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734866 meV Im[Sigma]= 57.434625 meV Z= 0.976683 lam= 0.023873
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962930 meV Im[Sigma]= 23.270590 meV Z= 1.003505 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754554 meV Im[Sigma]= 58.661743 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053271 meV Im[Sigma]= 135.964283 meV Z= 2.043937 lam= -0.510748
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 5.960347 meV Im[Sigma]= 10.691741 meV Z= 1.000497 lam= -0.000497
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 17.936674 meV Im[Sigma]= 85.661403 meV Z= 1.127634 lam= -0.113188
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 17.936674 meV Im[Sigma]= 85.661403 meV Z= 1.127634 lam= -0.113188
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747285 meV Im[Sigma]= 48.414520 meV Z= 1.100470 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.643149 meV Im[Sigma]= 40.458254 meV Z= 1.057470 lam= -0.054347
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.420456 meV Im[Sigma]= 56.648527 meV Z= 0.970660 lam= 0.030227
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.7707 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4913 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 5.960491 meV Im[Sigma]= 10.691872 meV Z= 1.000497 lam= -0.000497
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 17.936258 meV Im[Sigma]= 85.660355 meV Z= 1.127634 lam= -0.113187
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 17.936258 meV Im[Sigma]= 85.660355 meV Z= 1.127634 lam= -0.113187
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747425 meV Im[Sigma]= 48.414860 meV Z= 1.100471 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.642951 meV Im[Sigma]= 40.457964 meV Z= 1.057471 lam= -0.054348
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.421228 meV Im[Sigma]= 56.648193 meV Z= 0.970656 lam= 0.030231
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -3.981647 meV Im[Sigma]= 20.578273 meV Z= 0.936079 lam= 0.068286
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 67.349699 meV Im[Sigma]= 54.052888 meV Z= 0.989199 lam= 0.010919
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 67.349699 meV Im[Sigma]= 54.052888 meV Z= 0.989199 lam= 0.010919
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962864 meV Im[Sigma]= 23.270550 meV Z= 1.003504 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754444 meV Im[Sigma]= 58.661823 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053296 meV Im[Sigma]= 135.964936 meV Z= 2.043952 lam= -0.510752
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204259 meV Im[Sigma]= 51.636341 meV Z= 1.114993 lam= -0.103133
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503065 meV Im[Sigma]= 40.241259 meV Z= 1.054522 lam= -0.051703
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734441 meV Im[Sigma]= 57.435265 meV Z= 0.976687 lam= 0.023869
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165012 meV Im[Sigma]= 23.360998 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827763 meV Im[Sigma]= 30.099441 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827763 meV Im[Sigma]= 30.099441 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624873 meV Im[Sigma]= 21.572332 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454580 meV Im[Sigma]= 52.186618 meV Z= 0.979611 lam= 0.020814
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454580 meV Im[Sigma]= 52.186618 meV Z= 0.979611 lam= 0.020814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165012 meV Im[Sigma]= 23.360998 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827762 meV Im[Sigma]= 30.099441 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827762 meV Im[Sigma]= 30.099441 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609095 meV Im[Sigma]= 40.168210 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873995 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712872 meV Im[Sigma]= 23.210249 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563548 meV Im[Sigma]= 57.897174 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592527 meV Im[Sigma]= 137.775593 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165127 meV Im[Sigma]= 23.360957 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624836 meV Im[Sigma]= 21.572600 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454003 meV Im[Sigma]= 52.186010 meV Z= 0.979610 lam= 0.020815
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454003 meV Im[Sigma]= 52.186010 meV Z= 0.979610 lam= 0.020815
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712872 meV Im[Sigma]= 23.210248 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563547 meV Im[Sigma]= 57.897172 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592526 meV Im[Sigma]= 137.775592 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554914 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168588 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080416 meV Im[Sigma]= 57.873706 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962929 meV Im[Sigma]= 23.270587 meV Z= 1.003505 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754554 meV Im[Sigma]= 58.661744 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053272 meV Im[Sigma]= 135.964286 meV Z= 2.043937 lam= -0.510748
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747285 meV Im[Sigma]= 48.414519 meV Z= 1.100470 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.643149 meV Im[Sigma]= 40.458254 meV Z= 1.057471 lam= -0.054347
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.420455 meV Im[Sigma]= 56.648526 meV Z= 0.970660 lam= 0.030227
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747425 meV Im[Sigma]= 48.414859 meV Z= 1.100471 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.642952 meV Im[Sigma]= 40.457965 meV Z= 1.057471 lam= -0.054348
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.421227 meV Im[Sigma]= 56.648192 meV Z= 0.970656 lam= 0.030231
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962864 meV Im[Sigma]= 23.270548 meV Z= 1.003504 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754444 meV Im[Sigma]= 58.661824 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053297 meV Im[Sigma]= 135.964940 meV Z= 2.043952 lam= -0.510752
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190001 meV Im[Sigma]= 10.691741 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451597 meV Im[Sigma]= 85.859610 meV Z= 1.126939 lam= -0.112640
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451597 meV Im[Sigma]= 85.859610 meV Z= 1.126939 lam= -0.112640
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554916 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168589 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080417 meV Im[Sigma]= 57.873708 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712872 meV Im[Sigma]= 23.210247 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563548 meV Im[Sigma]= 57.897174 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592527 meV Im[Sigma]= 137.775596 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190133 meV Im[Sigma]= 10.691872 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858230 meV Z= 1.126936 lam= -0.112638
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858230 meV Z= 1.126936 lam= -0.112638
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609095 meV Im[Sigma]= 40.168208 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873995 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204535 meV Im[Sigma]= 51.636864 meV Z= 1.114993 lam= -0.103134
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503088 meV Im[Sigma]= 40.241191 meV Z= 1.054523 lam= -0.051704
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734866 meV Im[Sigma]= 57.434625 meV Z= 0.976683 lam= 0.023873
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204259 meV Im[Sigma]= 51.636341 meV Z= 1.114993 lam= -0.103133
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503065 meV Im[Sigma]= 40.241260 meV Z= 1.054522 lam= -0.051703
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734441 meV Im[Sigma]= 57.435265 meV Z= 0.976687 lam= 0.023869
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.7707 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4913 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554916 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168589 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080416 meV Im[Sigma]= 57.873706 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609095 meV Im[Sigma]= 40.168209 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873995 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4913 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.6878 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.7707 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0290 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554917 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168589 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080416 meV Im[Sigma]= 57.873706 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609095 meV Im[Sigma]= 40.168210 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873994 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190133 meV Im[Sigma]= 10.691872 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858230 meV Z= 1.126936 lam= -0.112638
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451302 meV Im[Sigma]= 85.858230 meV Z= 1.126936 lam= -0.112638
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609095 meV Im[Sigma]= 40.168209 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873995 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204535 meV Im[Sigma]= 51.636864 meV Z= 1.114993 lam= -0.103134
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503088 meV Im[Sigma]= 40.241190 meV Z= 1.054523 lam= -0.051704
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734866 meV Im[Sigma]= 57.434625 meV Z= 0.976683 lam= 0.023873
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.204259 meV Im[Sigma]= 51.636341 meV Z= 1.114993 lam= -0.103133
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.503064 meV Im[Sigma]= 40.241260 meV Z= 1.054522 lam= -0.051703
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.734441 meV Im[Sigma]= 57.435263 meV Z= 0.976687 lam= 0.023869
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.0857 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.4997 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.0736 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6678 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.0550 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554916 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168588 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080416 meV Im[Sigma]= 57.873706 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.2166 eV Re[Sigma]= 6.190001 meV Im[Sigma]= 10.691741 meV Z= 1.000325 lam= -0.000325
|
|
E( 3 )= -1.5211 eV Re[Sigma]= 18.451596 meV Im[Sigma]= 85.859608 meV Z= 1.126939 lam= -0.112640
|
|
E( 4 )= -1.5211 eV Re[Sigma]= 18.451596 meV Im[Sigma]= 85.859608 meV Z= 1.126939 lam= -0.112640
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712873 meV Im[Sigma]= 23.210247 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563548 meV Im[Sigma]= 57.897176 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592527 meV Im[Sigma]= 137.775594 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624836 meV Im[Sigma]= 21.572600 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454002 meV Im[Sigma]= 52.186009 meV Z= 0.979610 lam= 0.020815
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454002 meV Im[Sigma]= 52.186009 meV Z= 0.979610 lam= 0.020815
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712872 meV Im[Sigma]= 23.210247 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563548 meV Im[Sigma]= 57.897175 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592526 meV Im[Sigma]= 137.775590 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253432 meV Im[Sigma]= 50.554915 meV Z= 1.109630 lam= -0.098799
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609197 meV Im[Sigma]= 40.168590 meV Z= 1.054867 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080417 meV Im[Sigma]= 57.873707 meV Z= 0.967566 lam= 0.033522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165127 meV Im[Sigma]= 23.360957 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827659 meV Im[Sigma]= 30.099457 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962929 meV Im[Sigma]= 23.270589 meV Z= 1.003505 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754554 meV Im[Sigma]= 58.661743 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053272 meV Im[Sigma]= 135.964285 meV Z= 2.043937 lam= -0.510748
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747285 meV Im[Sigma]= 48.414520 meV Z= 1.100470 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.643148 meV Im[Sigma]= 40.458254 meV Z= 1.057471 lam= -0.054347
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.420455 meV Im[Sigma]= 56.648526 meV Z= 0.970660 lam= 0.030227
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.2246 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.9488 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.7388 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.9843 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.1567 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.9611 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 13.747425 meV Im[Sigma]= 48.414858 meV Z= 1.100471 lam= -0.091298
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.642952 meV Im[Sigma]= 40.457964 meV Z= 1.057471 lam= -0.054348
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 4.421227 meV Im[Sigma]= 56.648192 meV Z= 0.970656 lam= 0.030231
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.4662 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.7618 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.5655 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.1570 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9247 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7572 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.962864 meV Im[Sigma]= 23.270547 meV Z= 1.003504 lam= -0.003492
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.754444 meV Im[Sigma]= 58.661826 meV Z= 1.180220 lam= -0.152700
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 33.053297 meV Im[Sigma]= 135.964938 meV Z= 2.043952 lam= -0.510752
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.0553 eV Re[Sigma]= -36.165012 meV Im[Sigma]= 23.360998 meV Z= 0.874319 lam= 0.143747
|
|
E( 3 )= -1.3719 eV Re[Sigma]= 42.827763 meV Im[Sigma]= 30.099442 meV Z= 0.912706 lam= 0.095643
|
|
E( 4 )= -1.3719 eV Re[Sigma]= 42.827763 meV Im[Sigma]= 30.099442 meV Z= 0.912706 lam= 0.095643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.6531 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.3031 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.0700 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.3853 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.6317 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1322 eV Re[Sigma]= 14.253514 meV Im[Sigma]= 50.554985 meV Z= 1.109629 lam= -0.098798
|
|
E( 3 )= -3.8650 eV Re[Sigma]= 11.609096 meV Im[Sigma]= 40.168210 meV Z= 1.054866 lam= -0.052013
|
|
E( 4 )= -1.8117 eV Re[Sigma]= 5.080737 meV Im[Sigma]= 57.873994 meV Z= 0.967567 lam= 0.033520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.5583 eV Re[Sigma]= -5.712873 meV Im[Sigma]= 23.210248 meV Z= 1.003596 lam= -0.003583
|
|
E( 3 )= -2.5632 eV Re[Sigma]= -3.563548 meV Im[Sigma]= 57.897174 meV Z= 1.176817 lam= -0.150250
|
|
E( 4 )= -0.8338 eV Re[Sigma]= 34.592526 meV Im[Sigma]= 137.775591 meV Z= 2.098877 lam= -0.523555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.4953 eV Re[Sigma]= -2.624873 meV Im[Sigma]= 21.572331 meV Z= 0.938925 lam= 0.065048
|
|
E( 3 )= -0.7227 eV Re[Sigma]= 68.454580 meV Im[Sigma]= 52.186617 meV Z= 0.979611 lam= 0.020814
|
|
E( 4 )= -0.7227 eV Re[Sigma]= 68.454580 meV Im[Sigma]= 52.186617 meV Z= 0.979611 lam= 0.020814
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 -0.4322 54.5171 4.2776 0.9285 0.0770
|
|
2 2 -2.4953 -2.6249 21.5723 0.9389 0.0650
|
|
3 2 -7.2166 6.1900 10.6917 1.0003 -0.0003
|
|
4 2 -9.7707 0.0000 0.0000 1.0000 0.0000
|
|
5 2 -7.2166 6.1901 10.6919 1.0003 -0.0003
|
|
6 2 -2.4953 -2.6248 21.5726 0.9389 0.0650
|
|
7 2 -2.4953 -3.9819 20.5782 0.9361 0.0683
|
|
8 2 -2.0553 -36.1651 23.3610 0.8743 0.1437
|
|
9 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
10 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -8.1322 14.2045 51.6369 1.1150 -0.1031
|
|
12 2 -4.5583 -5.9629 23.2706 1.0035 -0.0035
|
|
13 2 -7.2166 5.9603 10.6917 1.0005 -0.0005
|
|
14 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
15 2 -6.0857 0.0000 0.0000 1.0000 0.0000
|
|
16 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
17 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
18 2 -8.1322 13.7473 48.4145 1.1005 -0.0913
|
|
19 2 -9.7707 0.0000 0.0000 1.0000 0.0000
|
|
20 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
21 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
22 2 -8.4913 0.0000 0.0000 1.0000 0.0000
|
|
23 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
24 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
25 2 -7.2166 5.9605 10.6919 1.0005 -0.0005
|
|
26 2 -8.1322 13.7474 48.4149 1.1005 -0.0913
|
|
27 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
28 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
29 2 -6.0857 0.0000 0.0000 1.0000 0.0000
|
|
30 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
31 2 -2.4953 -3.9816 20.5783 0.9361 0.0683
|
|
32 2 -4.5583 -5.9629 23.2705 1.0035 -0.0035
|
|
33 2 -8.1322 14.2043 51.6363 1.1150 -0.1031
|
|
34 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
36 2 -2.0553 -36.1650 23.3610 0.8743 0.1437
|
|
37 2 -2.4953 -2.6249 21.5723 0.9389 0.0650
|
|
38 2 -2.0553 -36.1650 23.3610 0.8743 0.1437
|
|
39 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
40 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
41 2 -8.1322 14.2535 50.5550 1.1096 -0.0988
|
|
42 2 -4.5583 -5.7129 23.2102 1.0036 -0.0036
|
|
43 2 -2.0553 -36.1651 23.3610 0.8743 0.1437
|
|
44 2 -2.4953 -2.6248 21.5726 0.9389 0.0650
|
|
45 2 -4.5583 -5.7129 23.2102 1.0036 -0.0036
|
|
46 2 -8.1322 14.2534 50.5549 1.1096 -0.0988
|
|
47 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
48 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
49 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
50 2 -4.5583 -5.9629 23.2706 1.0035 -0.0035
|
|
51 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
52 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
53 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
54 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
55 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
56 2 -8.1322 13.7473 48.4145 1.1005 -0.0913
|
|
57 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
58 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
59 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
60 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
61 2 -8.1322 13.7474 48.4149 1.1005 -0.0913
|
|
62 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
63 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
64 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
65 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
66 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
67 2 -4.5583 -5.9629 23.2705 1.0035 -0.0035
|
|
68 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
69 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
70 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
71 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
72 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
73 2 -7.2166 6.1900 10.6917 1.0003 -0.0003
|
|
74 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
75 2 -6.0857 0.0000 0.0000 1.0000 0.0000
|
|
76 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
77 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
78 2 -8.1322 14.2534 50.5549 1.1096 -0.0988
|
|
79 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
80 2 -4.5583 -5.7129 23.2102 1.0036 -0.0036
|
|
81 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
82 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
83 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
84 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
85 2 -6.0857 0.0000 0.0000 1.0000 0.0000
|
|
86 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
87 2 -7.2166 6.1901 10.6919 1.0003 -0.0003
|
|
88 2 -8.1322 14.2535 50.5550 1.1096 -0.0988
|
|
89 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
90 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
91 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
92 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
93 2 -8.1322 14.2045 51.6369 1.1150 -0.1031
|
|
94 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
95 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
96 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
97 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
98 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
99 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
100 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
101 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
102 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
103 2 -8.1322 14.2043 51.6363 1.1150 -0.1031
|
|
104 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
105 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
106 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
107 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
108 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
109 2 -9.7707 0.0000 0.0000 1.0000 0.0000
|
|
110 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
111 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
112 2 -8.4913 0.0000 0.0000 1.0000 0.0000
|
|
113 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
114 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
115 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
116 2 -8.1322 14.2534 50.5549 1.1096 -0.0988
|
|
117 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
118 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
119 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
120 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
121 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
122 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
123 2 -8.1322 14.2535 50.5550 1.1096 -0.0988
|
|
124 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
125 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
126 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
127 2 -8.4913 0.0000 0.0000 1.0000 0.0000
|
|
128 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
129 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
130 2 -9.7707 0.0000 0.0000 1.0000 0.0000
|
|
131 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
132 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
133 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
134 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
135 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
136 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
137 2 -8.1322 14.2534 50.5549 1.1096 -0.0988
|
|
138 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
139 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
140 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
141 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
142 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
143 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
144 2 -8.1322 14.2535 50.5550 1.1096 -0.0988
|
|
145 2 -7.2166 6.1901 10.6919 1.0003 -0.0003
|
|
146 2 -8.1322 14.2535 50.5550 1.1096 -0.0988
|
|
147 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
148 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
149 2 -6.0857 0.0000 0.0000 1.0000 0.0000
|
|
150 2 -5.6531 0.0000 0.0000 1.0000 0.0000
|
|
151 2 -8.1322 14.2045 51.6369 1.1150 -0.1031
|
|
152 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
153 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
154 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
155 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
156 2 -7.1570 0.0000 0.0000 1.0000 0.0000
|
|
157 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
158 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
159 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
160 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
161 2 -8.0736 0.0000 0.0000 1.0000 0.0000
|
|
162 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
163 2 -7.9843 0.0000 0.0000 1.0000 0.0000
|
|
164 2 -8.2246 0.0000 0.0000 1.0000 0.0000
|
|
165 2 -8.4662 0.0000 0.0000 1.0000 0.0000
|
|
166 2 -8.9978 0.0000 0.0000 1.0000 0.0000
|
|
167 2 -8.1322 14.2043 51.6363 1.1150 -0.1031
|
|
168 2 -7.1570 0.0000 0.0000 1.0000 0.0000
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24 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
25 4 -1.5211 17.9363 85.6604 1.1276 -0.1132
|
|
26 4 -1.8117 4.4212 56.6482 0.9707 0.0302
|
|
27 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
28 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
29 4 -3.4997 0.0000 0.0000 1.0000 0.0000
|
|
30 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
31 4 -0.7227 67.3497 54.0529 0.9892 0.0109
|
|
32 4 -0.8338 33.0533 135.9649 2.0440 -0.5108
|
|
33 4 -1.8117 4.7344 57.4353 0.9767 0.0239
|
|
34 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
35 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
36 4 -1.3719 42.8278 30.0994 0.9127 0.0956
|
|
37 4 -0.7227 68.4546 52.1866 0.9796 0.0208
|
|
38 4 -1.3719 42.8278 30.0994 0.9127 0.0956
|
|
39 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
40 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
41 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
42 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
43 4 -1.3719 42.8277 30.0995 0.9127 0.0956
|
|
44 4 -0.7227 68.4540 52.1860 0.9796 0.0208
|
|
45 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
46 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
47 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
48 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
49 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
50 4 -0.8338 33.0533 135.9643 2.0439 -0.5107
|
|
51 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
52 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
53 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
54 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
55 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
56 4 -1.8117 4.4205 56.6485 0.9707 0.0302
|
|
57 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
58 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
59 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
60 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
61 4 -1.8117 4.4212 56.6482 0.9707 0.0302
|
|
62 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
63 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
64 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
65 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
66 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
67 4 -0.8338 33.0533 135.9649 2.0440 -0.5108
|
|
68 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
69 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
70 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
71 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
72 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
73 4 -1.5211 18.4516 85.8596 1.1269 -0.1126
|
|
74 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
75 4 -3.4997 0.0000 0.0000 1.0000 0.0000
|
|
76 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
77 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
78 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
79 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
80 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
81 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
82 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
83 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
84 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
85 4 -3.4997 0.0000 0.0000 1.0000 0.0000
|
|
86 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
87 4 -1.5211 18.4513 85.8582 1.1269 -0.1126
|
|
88 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
89 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
90 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
91 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
92 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
93 4 -1.8117 4.7349 57.4346 0.9767 0.0239
|
|
94 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
95 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
96 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
97 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
98 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
99 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
100 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
101 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
102 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
103 4 -1.8117 4.7344 57.4353 0.9767 0.0239
|
|
104 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
105 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
106 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
107 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
108 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
109 4 -2.0290 0.0000 0.0000 1.0000 0.0000
|
|
110 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
111 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
112 4 -4.6878 0.0000 0.0000 1.0000 0.0000
|
|
113 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
114 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
115 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
116 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
117 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
118 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
119 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
120 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
121 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
122 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
123 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
124 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
125 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
126 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
127 4 -4.6878 0.0000 0.0000 1.0000 0.0000
|
|
128 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
129 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
130 4 -2.0290 0.0000 0.0000 1.0000 0.0000
|
|
131 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
132 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
133 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
134 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
135 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
136 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
137 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
138 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
139 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
140 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
141 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
142 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
143 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
144 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
145 4 -1.5211 18.4513 85.8582 1.1269 -0.1126
|
|
146 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
147 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
148 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
149 4 -3.4997 0.0000 0.0000 1.0000 0.0000
|
|
150 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
151 4 -1.8117 4.7349 57.4346 0.9767 0.0239
|
|
152 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
153 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
154 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
155 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
156 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
157 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
158 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
159 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
160 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
161 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
162 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
163 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
164 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
165 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
166 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
167 4 -1.8117 4.7344 57.4353 0.9767 0.0239
|
|
168 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
169 4 -3.4997 0.0000 0.0000 1.0000 0.0000
|
|
170 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
171 4 -3.0550 0.0000 0.0000 1.0000 0.0000
|
|
172 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
173 4 -1.5211 18.4516 85.8596 1.1269 -0.1126
|
|
174 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
175 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
176 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
177 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
178 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
179 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
180 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
181 4 -0.7227 68.4540 52.1860 0.9796 0.0208
|
|
182 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
183 4 -1.8117 5.0804 57.8737 0.9676 0.0335
|
|
184 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
186 4 -1.3719 42.8277 30.0995 0.9127 0.0956
|
|
187 4 -0.8338 33.0533 135.9643 2.0439 -0.5107
|
|
188 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
189 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
190 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
191 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
192 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
193 4 -1.8117 4.4205 56.6485 0.9707 0.0302
|
|
194 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
195 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
196 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
197 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
198 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
199 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
200 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
201 4 -4.7388 0.0000 0.0000 1.0000 0.0000
|
|
202 4 -3.9611 0.0000 0.0000 1.0000 0.0000
|
|
203 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
204 4 -1.8117 4.4212 56.6482 0.9707 0.0302
|
|
205 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
206 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
207 4 -3.5655 0.0000 0.0000 1.0000 0.0000
|
|
208 4 -2.7572 0.0000 0.0000 1.0000 0.0000
|
|
209 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
210 4 -0.8338 33.0533 135.9649 2.0440 -0.5108
|
|
211 4 -1.3719 42.8278 30.0994 0.9127 0.0956
|
|
212 4 -2.0700 0.0000 0.0000 1.0000 0.0000
|
|
213 4 -2.6317 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -1.8117 5.0807 57.8740 0.9676 0.0335
|
|
215 4 -0.8338 34.5925 137.7756 2.0989 -0.5236
|
|
216 4 -0.7227 68.4546 52.1866 0.9796 0.0208
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 67Mb
|
|
VmPeak = 3794Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 2.43s CPU 2.57s 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 : 0.79s CPU 0.88s WALL ( 1 calls)
|
|
ep-interp : 0.60s CPU 0.69s WALL ( 216 calls)
|
|
|
|
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
Ham: step 2 : 0.02s CPU 0.02s 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 : 0.04s CPU 0.05s WALL ( 216 calls)
|
|
HamW2B : 0.20s CPU 0.23s WALL ( 23490 calls)
|
|
ephW2Bp : 0.06s CPU 0.08s WALL ( 216 calls)
|
|
ephW2B : 0.12s CPU 0.14s WALL ( 1534 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 3.95s CPU 4.24s 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)
|
|
|
|
|
|
% Since you used the [lpolar] input, please consider also citing
|
|
C. Verdi and F. Giustino, Phys. Rev. Lett. 115, 176401 (2015)
|
|
|
|
For your convenience, this information is also reported in the
|
|
functionality-dependent EPW.bib file.
|
|
===============================================================================
|
|
|