mirror of https://gitlab.com/QEF/q-e.git
2851 lines
197 KiB
Plaintext
2851 lines
197 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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S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
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Comput. Phys. Commun. 209, 116 (2016)
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Program EPW v.5.1.0 starts on 30Apr2019 at 18: 2:53
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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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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 1 processors
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MPI processes distributed on 1 nodes
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Reading data from directory:
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./sic.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = PZ ( 1 1 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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file C.UPF: wavefunction(s) 3d renormalized
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Info: using nr1, nr2, nr3 values from input
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Info: using nr1, nr2, nr3 values from input
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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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--
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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 ( 1 1 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 : 0.11s CPU 0.11s WALL
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EPW : 0.13s CPU 0.13s WALL
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No wavefunction gauge setting applied
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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 1 pools
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1 of 27 on ionode
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2 of 27 on ionode
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3 of 27 on ionode
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4 of 27 on ionode
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5 of 27 on ionode
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6 of 27 on ionode
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7 of 27 on ionode
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8 of 27 on ionode
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9 of 27 on ionode
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10 of 27 on ionode
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11 of 27 on ionode
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12 of 27 on ionode
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13 of 27 on ionode
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14 of 27 on ionode
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15 of 27 on ionode
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16 of 27 on ionode
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17 of 27 on ionode
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18 of 27 on ionode
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19 of 27 on ionode
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20 of 27 on ionode
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21 of 27 on ionode
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22 of 27 on ionode
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23 of 27 on ionode
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24 of 27 on ionode
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25 of 27 on ionode
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26 of 27 on ionode
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27 of 27 on ionode
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AMN calculated
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MMN
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k points = 27 in 1 pools
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1 of 27 on ionode
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2 of 27 on ionode
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3 of 27 on ionode
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4 of 27 on ionode
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5 of 27 on ionode
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6 of 27 on ionode
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7 of 27 on ionode
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8 of 27 on ionode
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9 of 27 on ionode
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10 of 27 on ionode
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11 of 27 on ionode
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12 of 27 on ionode
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13 of 27 on ionode
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14 of 27 on ionode
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15 of 27 on ionode
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16 of 27 on ionode
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17 of 27 on ionode
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18 of 27 on ionode
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19 of 27 on ionode
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20 of 27 on ionode
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21 of 27 on ionode
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22 of 27 on ionode
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23 of 27 on ionode
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24 of 27 on ionode
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25 of 27 on ionode
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26 of 27 on ionode
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27 of 27 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 : 1.45s CPU 1.45s 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 : 0.11s CPU 0.11s 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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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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Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
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===================================================================
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Memory usage: VmHWM = 32Mb
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VmPeak = 299Mb
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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: 432
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Fermi energy coarse grid = 0.000000 eV
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Fermi energy is calculated from the fine k-mesh: Ef = 10.139039 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 = 0.602
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ibndmax = 4 ebndmax = 0.739
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Number of ep-matrix elements per pool : 11664 ~= 91.12 Kb (@ 8 bytes/ DP)
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A selecq.fmt file was found but re-created because selecqread == .false.
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Number selected, total 100 100
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Number selected, total 200 200
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We only need to compute 216 q-points
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===================================================================
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Electron (Imaginary) Self-Energy in the Migdal Approximation
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===================================================================
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Fermi Surface thickness = 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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WARNING: only the eigenstates within the Fermi window are meaningful
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ik = 1 coord.: 0.0000000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 2 )= -0.0842 eV Re[Sigma]= 66.268429 meV Im[Sigma]= 4.277622 meV Z= 0.923226 lam= 0.083158
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E( 3 )= -0.0842 eV Re[Sigma]= 66.268429 meV Im[Sigma]= 4.277622 meV Z= 0.923226 lam= 0.083158
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E( 4 )= -0.0842 eV Re[Sigma]= 66.268429 meV Im[Sigma]= 4.277622 meV Z= 0.923226 lam= 0.083158
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-------------------------------------------------------------------
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ik = 2 coord.: 0.0000000 0.0000000 0.1666667
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-------------------------------------------------------------------
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E( 2 )= -2.1472 eV Re[Sigma]= -61.220329 meV Im[Sigma]= 60.262165 meV Z= 0.876311 lam= 0.141147
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350376 meV Im[Sigma]= 52.082576 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350376 meV Im[Sigma]= 52.082576 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240468 meV Im[Sigma]= 10.691642 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930374 meV Im[Sigma]= 85.864620 meV Z= 1.085376 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930374 meV Im[Sigma]= 85.864620 meV Z= 1.085376 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.805981 meV Im[Sigma]= 6.716595 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526538 meV Z= 0.880306 lam= 0.135969
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526538 meV Z= 0.880306 lam= 0.135969
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240516 meV Im[Sigma]= 10.691688 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930031 meV Im[Sigma]= 85.864073 meV Z= 1.085375 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930031 meV Im[Sigma]= 85.864073 meV Z= 1.085375 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220799 meV Im[Sigma]= 60.262590 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350117 meV Im[Sigma]= 52.082428 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350117 meV Im[Sigma]= 52.082428 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -63.080537 meV Im[Sigma]= 61.256152 meV Z= 0.877452 lam= 0.139663
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.959614 meV Im[Sigma]= 53.874905 meV Z= 0.980719 lam= 0.019660
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.959614 meV Im[Sigma]= 53.874905 meV Z= 0.980719 lam= 0.019660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028049 meV Im[Sigma]= 114.438515 meV Z= 0.972265 lam= 0.028526
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264511 meV Im[Sigma]= 30.075424 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264511 meV Im[Sigma]= 30.075424 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.139067 meV Im[Sigma]= 46.863417 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729710 meV Im[Sigma]= 74.142319 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.136030 meV Im[Sigma]= 114.846185 meV Z= 1.057538 lam= -0.054408
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.727073 meV Im[Sigma]= 51.540266 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594629 meV Im[Sigma]= 40.274457 meV Z= 1.047038 lam= -0.044925
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097380 meV Im[Sigma]= 57.814112 meV Z= 0.900408 lam= 0.110608
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627000 meV Im[Sigma]= 23.283989 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954014 meV Im[Sigma]= 64.776752 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706094 meV Im[Sigma]= 135.985598 meV Z= 2.006849 lam= -0.501706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.028555 meV Im[Sigma]= 10.691642 meV Z= 0.997185 lam= 0.002823
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.307280 meV Im[Sigma]= 85.714998 meV Z= 1.086304 lam= -0.079447
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.307280 meV Im[Sigma]= 85.714998 meV Z= 1.086304 lam= -0.079447
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080131 meV Im[Sigma]= 44.953087 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425102 meV Im[Sigma]= 73.512550 meV Z= 0.885654 lam= 0.129109
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.928828 meV Im[Sigma]= 116.840723 meV Z= 1.081651 lam= -0.075487
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.7841 eV Re[Sigma]= 10.321546 meV Im[Sigma]= 48.396235 meV Z= 1.098239 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978560 meV Im[Sigma]= 40.434209 meV Z= 1.049672 lam= -0.047321
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.640568 meV Im[Sigma]= 57.031114 meV Z= 0.893479 lam= 0.119220
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.746619 meV Im[Sigma]= 6.652611 meV Z= 1.006287 lam= -0.006248
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.809192 meV Im[Sigma]= 78.209968 meV Z= 0.884327 lam= 0.130804
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.809192 meV Im[Sigma]= 78.209968 meV Z= 0.884327 lam= 0.130804
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -6.8685 eV Re[Sigma]= -0.028484 meV Im[Sigma]= 10.691688 meV Z= 0.997185 lam= 0.002823
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.306947 meV Im[Sigma]= 85.714802 meV Z= 1.086305 lam= -0.079448
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.306947 meV Im[Sigma]= 85.714802 meV Z= 1.086305 lam= -0.079448
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321650 meV Im[Sigma]= 48.396556 meV Z= 1.098239 lam= -0.089452
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978912 meV Im[Sigma]= 40.434211 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639674 meV Im[Sigma]= 57.030938 meV Z= 0.893476 lam= 0.119224
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -5.3050 eV Re[Sigma]= 11.080220 meV Im[Sigma]= 44.953288 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425356 meV Im[Sigma]= 73.511996 meV Z= 0.885654 lam= 0.129109
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929210 meV Im[Sigma]= 116.840664 meV Z= 1.081650 lam= -0.075486
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -63.080828 meV Im[Sigma]= 61.256514 meV Z= 0.877452 lam= 0.139664
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.960653 meV Im[Sigma]= 53.874451 meV Z= 0.980715 lam= 0.019664
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.960653 meV Im[Sigma]= 53.874451 meV Z= 0.980715 lam= 0.019664
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.626932 meV Im[Sigma]= 23.283940 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.953948 meV Im[Sigma]= 64.776824 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706161 meV Im[Sigma]= 135.985577 meV Z= 2.006850 lam= -0.501707
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.726912 meV Im[Sigma]= 51.539912 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594615 meV Im[Sigma]= 40.274411 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097385 meV Im[Sigma]= 57.814298 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -5.3050 eV Re[Sigma]= 11.138677 meV Im[Sigma]= 46.863350 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728832 meV Im[Sigma]= 74.141954 meV Z= 0.892441 lam= 0.120523
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138359 meV Im[Sigma]= 114.846055 meV Z= 1.057540 lam= -0.054410
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027965 meV Im[Sigma]= 114.438150 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264534 meV Im[Sigma]= 30.075378 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264534 meV Im[Sigma]= 30.075378 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220329 meV Im[Sigma]= 60.262166 meV Z= 0.876311 lam= 0.141147
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350375 meV Im[Sigma]= 52.082575 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350375 meV Im[Sigma]= 52.082575 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027965 meV Im[Sigma]= 114.438149 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264534 meV Im[Sigma]= 30.075378 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264534 meV Im[Sigma]= 30.075378 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747428 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332992 meV Im[Sigma]= 74.265071 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343228 meV Im[Sigma]= 117.190724 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499186 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870297 meV Im[Sigma]= 40.191245 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213009 meV Im[Sigma]= 58.297284 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347769 meV Im[Sigma]= 23.182924 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090062 meV Im[Sigma]= 63.915408 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402287 meV Im[Sigma]= 137.927326 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028049 meV Im[Sigma]= 114.438480 meV Z= 0.972265 lam= 0.028526
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264508 meV Im[Sigma]= 30.075424 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264508 meV Im[Sigma]= 30.075424 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220797 meV Im[Sigma]= 60.262589 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350118 meV Im[Sigma]= 52.082429 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350118 meV Im[Sigma]= 52.082429 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347769 meV Im[Sigma]= 23.182923 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090062 meV Im[Sigma]= 63.915410 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402287 meV Im[Sigma]= 137.927327 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499190 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870252 meV Im[Sigma]= 40.191331 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213037 meV Im[Sigma]= 58.297250 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -5.3050 eV Re[Sigma]= 11.206636 meV Im[Sigma]= 45.747586 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332594 meV Im[Sigma]= 74.264640 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343443 meV Im[Sigma]= 117.190622 meV Z= 1.078458 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080146 meV Im[Sigma]= 44.953086 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425333 meV Im[Sigma]= 73.512549 meV Z= 0.885654 lam= 0.129110
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929003 meV Im[Sigma]= 116.840724 meV Z= 1.081651 lam= -0.075487
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627000 meV Im[Sigma]= 23.283990 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954014 meV Im[Sigma]= 64.776751 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706094 meV Im[Sigma]= 135.985598 meV Z= 2.006849 lam= -0.501706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206636 meV Im[Sigma]= 45.747585 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332594 meV Im[Sigma]= 74.264641 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343442 meV Im[Sigma]= 117.190627 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.321510 meV Im[Sigma]= 48.396234 meV Z= 1.098239 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978944 meV Im[Sigma]= 40.434209 meV Z= 1.049672 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639618 meV Im[Sigma]= 57.031085 meV Z= 0.893477 lam= 0.119223
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7841 eV Re[Sigma]= 10.321651 meV Im[Sigma]= 48.396555 meV Z= 1.098239 lam= -0.089452
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978912 meV Im[Sigma]= 40.434209 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639674 meV Im[Sigma]= 57.030938 meV Z= 0.893476 lam= 0.119224
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -4.2102 eV Re[Sigma]= -6.626932 meV Im[Sigma]= 23.283940 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.953948 meV Im[Sigma]= 64.776823 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706160 meV Im[Sigma]= 135.985574 meV Z= 2.006850 lam= -0.501707
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080152 meV Im[Sigma]= 44.953288 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.424992 meV Im[Sigma]= 73.511996 meV Z= 0.885654 lam= 0.129109
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929235 meV Im[Sigma]= 116.840662 meV Z= 1.081650 lam= -0.075486
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747428 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332993 meV Im[Sigma]= 74.265071 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343228 meV Im[Sigma]= 117.190723 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240467 meV Im[Sigma]= 10.691642 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930374 meV Im[Sigma]= 85.864618 meV Z= 1.085376 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930374 meV Im[Sigma]= 85.864618 meV Z= 1.085376 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747428 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332992 meV Im[Sigma]= 74.265070 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343228 meV Im[Sigma]= 117.190723 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499192 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191330 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213037 meV Im[Sigma]= 58.297250 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138710 meV Im[Sigma]= 46.863419 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729180 meV Im[Sigma]= 74.142318 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138286 meV Im[Sigma]= 114.846196 meV Z= 1.057542 lam= -0.054412
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347769 meV Im[Sigma]= 23.182925 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090064 meV Im[Sigma]= 63.915409 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402286 meV Im[Sigma]= 137.927324 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138677 meV Im[Sigma]= 46.863349 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728833 meV Im[Sigma]= 74.141956 meV Z= 0.892441 lam= 0.120523
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138360 meV Im[Sigma]= 114.846054 meV Z= 1.057540 lam= -0.054410
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -5.3050 eV Re[Sigma]= 11.206636 meV Im[Sigma]= 45.747587 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332594 meV Im[Sigma]= 74.264641 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343443 meV Im[Sigma]= 117.190624 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240516 meV Im[Sigma]= 10.691687 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930032 meV Im[Sigma]= 85.864074 meV Z= 1.085375 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930032 meV Im[Sigma]= 85.864074 meV Z= 1.085375 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499185 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870298 meV Im[Sigma]= 40.191246 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213009 meV Im[Sigma]= 58.297284 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.7841 eV Re[Sigma]= 10.727073 meV Im[Sigma]= 51.540265 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594629 meV Im[Sigma]= 40.274457 meV Z= 1.047038 lam= -0.044925
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097380 meV Im[Sigma]= 57.814112 meV Z= 0.900408 lam= 0.110608
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7841 eV Re[Sigma]= 10.726912 meV Im[Sigma]= 51.539912 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594615 meV Im[Sigma]= 40.274411 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097385 meV Im[Sigma]= 57.814297 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -9.4227 eV Re[Sigma]= -6.805981 meV Im[Sigma]= 6.716594 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526539 meV Z= 0.880306 lam= 0.135969
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526539 meV Z= 0.880306 lam= 0.135969
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499192 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870252 meV Im[Sigma]= 40.191331 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213036 meV Im[Sigma]= 58.297250 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499185 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870297 meV Im[Sigma]= 40.191246 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213009 meV Im[Sigma]= 58.297285 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -9.4227 eV Re[Sigma]= -6.805981 meV Im[Sigma]= 6.716595 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526537 meV Z= 0.880306 lam= 0.135969
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064922 meV Im[Sigma]= 79.526537 meV Z= 0.880306 lam= 0.135969
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499191 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870252 meV Im[Sigma]= 40.191330 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213037 meV Im[Sigma]= 58.297251 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499185 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870297 meV Im[Sigma]= 40.191246 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213010 meV Im[Sigma]= 58.297285 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240516 meV Im[Sigma]= 10.691687 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930033 meV Im[Sigma]= 85.864074 meV Z= 1.085375 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930033 meV Im[Sigma]= 85.864074 meV Z= 1.085375 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499186 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870298 meV Im[Sigma]= 40.191247 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213010 meV Im[Sigma]= 58.297286 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -5.3050 eV Re[Sigma]= 11.206636 meV Im[Sigma]= 45.747586 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332593 meV Im[Sigma]= 74.264640 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343443 meV Im[Sigma]= 117.190626 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.727073 meV Im[Sigma]= 51.540265 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594629 meV Im[Sigma]= 40.274458 meV Z= 1.047038 lam= -0.044925
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097381 meV Im[Sigma]= 57.814113 meV Z= 0.900408 lam= 0.110608
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.726912 meV Im[Sigma]= 51.539912 meV Z= 1.112386 lam= -0.101031
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594615 meV Im[Sigma]= 40.274412 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097384 meV Im[Sigma]= 57.814297 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 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 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499191 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191330 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213036 meV Im[Sigma]= 58.297249 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240467 meV Im[Sigma]= 10.691642 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930373 meV Im[Sigma]= 85.864618 meV Z= 1.085376 lam= -0.078660
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930373 meV Im[Sigma]= 85.864618 meV Z= 1.085376 lam= -0.078660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747427 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332992 meV Im[Sigma]= 74.265070 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343228 meV Im[Sigma]= 117.190722 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138677 meV Im[Sigma]= 46.863350 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728832 meV Im[Sigma]= 74.141955 meV Z= 0.892441 lam= 0.120523
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138359 meV Im[Sigma]= 114.846053 meV Z= 1.057540 lam= -0.054410
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.3050 eV Re[Sigma]= 11.138710 meV Im[Sigma]= 46.863418 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729181 meV Im[Sigma]= 74.142322 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138286 meV Im[Sigma]= 114.846195 meV Z= 1.057542 lam= -0.054412
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347769 meV Im[Sigma]= 23.182923 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090064 meV Im[Sigma]= 63.915412 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402286 meV Im[Sigma]= 137.927323 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220798 meV Im[Sigma]= 60.262591 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350115 meV Im[Sigma]= 52.082428 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350115 meV Im[Sigma]= 52.082428 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347770 meV Im[Sigma]= 23.182924 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090062 meV Im[Sigma]= 63.915410 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402287 meV Im[Sigma]= 137.927325 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826902 meV Im[Sigma]= 50.499192 meV Z= 1.107295 lam= -0.096898
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870252 meV Im[Sigma]= 40.191331 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213037 meV Im[Sigma]= 58.297251 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -5.3050 eV Re[Sigma]= 11.206637 meV Im[Sigma]= 45.747586 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332593 meV Im[Sigma]= 74.264639 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343443 meV Im[Sigma]= 117.190629 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028048 meV Im[Sigma]= 114.438475 meV Z= 0.972265 lam= 0.028526
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264510 meV Im[Sigma]= 30.075425 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264510 meV Im[Sigma]= 30.075425 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627000 meV Im[Sigma]= 23.283990 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954013 meV Im[Sigma]= 64.776750 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706093 meV Im[Sigma]= 135.985597 meV Z= 2.006849 lam= -0.501706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206636 meV Im[Sigma]= 45.747586 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332594 meV Im[Sigma]= 74.264640 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343443 meV Im[Sigma]= 117.190627 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.3050 eV Re[Sigma]= 11.080146 meV Im[Sigma]= 44.953086 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425335 meV Im[Sigma]= 73.512553 meV Z= 0.885654 lam= 0.129110
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929004 meV Im[Sigma]= 116.840722 meV Z= 1.081651 lam= -0.075487
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321510 meV Im[Sigma]= 48.396234 meV Z= 1.098239 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978943 meV Im[Sigma]= 40.434209 meV Z= 1.049672 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639620 meV Im[Sigma]= 57.031086 meV Z= 0.893477 lam= 0.119223
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 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 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -7.7841 eV Re[Sigma]= 10.321650 meV Im[Sigma]= 48.396555 meV Z= 1.098239 lam= -0.089452
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978912 meV Im[Sigma]= 40.434211 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639673 meV Im[Sigma]= 57.030938 meV Z= 0.893476 lam= 0.119224
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080152 meV Im[Sigma]= 44.953287 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.424991 meV Im[Sigma]= 73.511995 meV Z= 0.885654 lam= 0.129109
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929235 meV Im[Sigma]= 116.840666 meV Z= 1.081650 lam= -0.075486
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 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 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 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 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747428 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332992 meV Im[Sigma]= 74.265070 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343227 meV Im[Sigma]= 117.190723 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.626932 meV Im[Sigma]= 23.283940 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.953947 meV Im[Sigma]= 64.776823 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706160 meV Im[Sigma]= 135.985575 meV Z= 2.006850 lam= -0.501707
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027965 meV Im[Sigma]= 114.438147 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264533 meV Im[Sigma]= 30.075379 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264533 meV Im[Sigma]= 30.075379 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206718 meV Im[Sigma]= 45.747427 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332992 meV Im[Sigma]= 74.265071 meV Z= 0.885053 lam= 0.129876
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343228 meV Im[Sigma]= 117.190723 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 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 )= -7.7841 eV Re[Sigma]= 10.826992 meV Im[Sigma]= 50.499186 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870297 meV Im[Sigma]= 40.191245 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.213009 meV Im[Sigma]= 58.297285 meV Z= 0.891653 lam= 0.121512
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347769 meV Im[Sigma]= 23.182924 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090063 meV Im[Sigma]= 63.915410 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402287 meV Im[Sigma]= 137.927326 meV Z= 2.060670 lam= -0.514721
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220327 meV Im[Sigma]= 60.262164 meV Z= 0.876311 lam= 0.141147
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350376 meV Im[Sigma]= 52.082576 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350376 meV Im[Sigma]= 52.082576 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 -0.0842 66.2684 4.2776 0.9232 0.0832
|
|
2 2 -2.1472 -61.2203 60.2622 0.8763 0.1411
|
|
3 2 -6.8685 0.2405 10.6916 0.9970 0.0030
|
|
4 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
5 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
6 2 -2.1472 -61.2208 60.2626 0.8763 0.1411
|
|
7 2 -2.1472 -63.0805 61.2562 0.8775 0.1397
|
|
8 2 -1.7072 33.0280 114.4385 0.9723 0.0285
|
|
9 2 -5.3050 11.1391 46.8634 1.0575 -0.0544
|
|
10 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -7.7841 10.7271 51.5403 1.1124 -0.1010
|
|
12 2 -4.2102 -6.6270 23.2840 0.9957 0.0044
|
|
13 2 -6.8685 -0.0286 10.6916 0.9972 0.0028
|
|
14 2 -5.3050 11.0801 44.9531 1.0459 -0.0439
|
|
15 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
16 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
17 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
18 2 -7.7841 10.3215 48.3962 1.0982 -0.0895
|
|
19 2 -9.4227 -6.7466 6.6526 1.0063 -0.0062
|
|
20 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
21 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
22 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
23 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
24 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
25 2 -6.8685 -0.0285 10.6917 0.9972 0.0028
|
|
26 2 -7.7841 10.3217 48.3966 1.0982 -0.0895
|
|
27 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
28 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
29 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
30 2 -5.3050 11.0802 44.9533 1.0459 -0.0439
|
|
31 2 -2.1472 -63.0808 61.2565 0.8775 0.1397
|
|
32 2 -4.2102 -6.6269 23.2839 0.9957 0.0044
|
|
33 2 -7.7841 10.7269 51.5399 1.1124 -0.1010
|
|
34 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -5.3050 11.1387 46.8633 1.0575 -0.0544
|
|
36 2 -1.7072 33.0280 114.4382 0.9723 0.0285
|
|
37 2 -2.1472 -61.2203 60.2622 0.8763 0.1411
|
|
38 2 -1.7072 33.0280 114.4381 0.9723 0.0285
|
|
39 2 -5.3050 11.2067 45.7474 1.0501 -0.0477
|
|
40 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
41 2 -7.7841 10.8270 50.4992 1.1073 -0.0969
|
|
42 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
43 2 -1.7072 33.0280 114.4385 0.9723 0.0285
|
|
44 2 -2.1472 -61.2208 60.2626 0.8763 0.1411
|
|
45 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
46 2 -7.7841 10.8269 50.4992 1.1073 -0.0969
|
|
47 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
48 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
49 2 -5.3050 11.0801 44.9531 1.0459 -0.0439
|
|
50 2 -4.2102 -6.6270 23.2840 0.9957 0.0044
|
|
51 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
52 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
53 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
54 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
55 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
56 2 -7.7841 10.3215 48.3962 1.0982 -0.0895
|
|
57 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
58 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
59 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
60 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
61 2 -7.7841 10.3217 48.3966 1.0982 -0.0895
|
|
62 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
63 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
64 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
65 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
66 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
67 2 -4.2102 -6.6269 23.2839 0.9957 0.0044
|
|
68 2 -5.3050 11.0802 44.9533 1.0459 -0.0439
|
|
69 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
70 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
71 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
72 2 -5.3050 11.2067 45.7474 1.0501 -0.0477
|
|
73 2 -6.8685 0.2405 10.6916 0.9970 0.0030
|
|
74 2 -5.3050 11.2067 45.7474 1.0501 -0.0477
|
|
75 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
76 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
77 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
78 2 -7.7841 10.8269 50.4992 1.1073 -0.0969
|
|
79 2 -5.3050 11.1387 46.8634 1.0575 -0.0544
|
|
80 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
81 2 -5.3050 11.1387 46.8633 1.0575 -0.0544
|
|
82 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
83 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
84 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
85 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
86 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
87 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
88 2 -7.7841 10.8270 50.4992 1.1073 -0.0969
|
|
89 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
90 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
91 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
92 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
93 2 -7.7841 10.7271 51.5403 1.1124 -0.1010
|
|
94 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
95 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
96 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
97 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
98 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
99 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
100 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
101 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
102 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
103 2 -7.7841 10.7269 51.5399 1.1124 -0.1010
|
|
104 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
105 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
106 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
107 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
108 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
109 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
110 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
111 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
112 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
113 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
114 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
115 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
116 2 -7.7841 10.8269 50.4992 1.1073 -0.0969
|
|
117 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
118 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
119 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
120 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
121 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
122 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
123 2 -7.7841 10.8270 50.4992 1.1073 -0.0969
|
|
124 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
125 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
126 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
127 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
128 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
129 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
130 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
131 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
132 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
133 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
134 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
135 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
136 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
137 2 -7.7841 10.8269 50.4992 1.1073 -0.0969
|
|
138 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
139 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
140 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
141 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
142 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
143 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
144 2 -7.7841 10.8270 50.4992 1.1073 -0.0969
|
|
145 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
146 2 -7.7841 10.8270 50.4992 1.1073 -0.0969
|
|
147 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
148 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
149 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
150 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
151 2 -7.7841 10.7271 51.5403 1.1124 -0.1010
|
|
152 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
153 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
154 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
155 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
156 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
157 2 -7.7256 0.0000 0.0000 1.0000 0.0000
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|
|
6 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
7 4 -0.3746 80.9596 53.8749 0.9807 0.0197
|
|
8 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
9 4 -1.7220 25.1360 114.8462 1.0575 -0.0544
|
|
10 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
11 4 -1.4636 44.0974 57.8141 0.9004 0.1106
|
|
12 4 -0.4858 47.7061 135.9856 2.0068 -0.5017
|
|
13 4 -1.1730 43.3073 85.7150 1.0863 -0.0794
|
|
14 4 -1.7220 26.9288 116.8407 1.0817 -0.0755
|
|
15 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
16 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
17 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
18 4 -1.4636 44.6406 57.0311 0.8935 0.1192
|
|
19 4 -1.6810 23.8092 78.2100 0.8843 0.1308
|
|
20 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
21 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
22 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
23 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
24 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
25 4 -1.1730 43.3069 85.7148 1.0863 -0.0794
|
|
26 4 -1.4636 44.6397 57.0309 0.8935 0.1192
|
|
27 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
28 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
29 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
30 4 -1.7220 26.9292 116.8407 1.0816 -0.0755
|
|
31 4 -0.3746 80.9607 53.8745 0.9807 0.0197
|
|
32 4 -0.4858 47.7062 135.9856 2.0069 -0.5017
|
|
33 4 -1.4636 44.0974 57.8143 0.9004 0.1106
|
|
34 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
35 4 -1.7220 25.1384 114.8461 1.0575 -0.0544
|
|
36 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
37 4 -0.3746 82.3504 52.0826 0.9713 0.0296
|
|
38 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
39 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
40 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
41 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
42 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
43 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
44 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
45 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
46 4 -1.4636 45.2130 58.2972 0.8917 0.1215
|
|
47 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
48 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
49 4 -1.7220 26.9290 116.8407 1.0817 -0.0755
|
|
50 4 -0.4858 47.7061 135.9856 2.0068 -0.5017
|
|
51 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
52 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
53 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
54 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
55 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
56 4 -1.4636 44.6396 57.0311 0.8935 0.1192
|
|
57 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
58 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
59 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
60 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
61 4 -1.4636 44.6397 57.0309 0.8935 0.1192
|
|
62 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
63 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
64 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
65 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
66 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
67 4 -0.4858 47.7062 135.9856 2.0069 -0.5017
|
|
68 4 -1.7220 26.9292 116.8407 1.0816 -0.0755
|
|
69 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
70 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
71 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
72 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
73 4 -1.1730 43.9304 85.8646 1.0854 -0.0787
|
|
74 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
75 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
76 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
77 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
78 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
79 4 -1.7220 25.1383 114.8462 1.0575 -0.0544
|
|
80 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
81 4 -1.7220 25.1384 114.8461 1.0575 -0.0544
|
|
82 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
83 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
84 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
85 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
86 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
87 4 -1.1730 43.9300 85.8641 1.0854 -0.0787
|
|
88 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
89 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
90 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
91 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
92 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
93 4 -1.4636 44.0974 57.8141 0.9004 0.1106
|
|
94 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
95 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
96 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
97 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
98 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
99 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
100 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
101 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
102 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
103 4 -1.4636 44.0974 57.8143 0.9004 0.1106
|
|
104 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
105 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
106 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
107 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
108 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
109 4 -1.6810 23.0649 79.5265 0.8803 0.1360
|
|
110 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
111 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
112 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
113 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
114 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
115 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
116 4 -1.4636 45.2130 58.2972 0.8917 0.1215
|
|
117 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
118 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
119 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
120 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
121 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
122 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
123 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
124 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
125 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
126 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
127 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
128 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
129 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
130 4 -1.6810 23.0649 79.5265 0.8803 0.1360
|
|
131 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
132 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
133 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
134 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
135 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
136 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
137 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
138 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
139 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
140 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
141 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
142 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
143 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
144 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
145 4 -1.1730 43.9300 85.8641 1.0854 -0.0787
|
|
146 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
147 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
148 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
149 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
150 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
151 4 -1.4636 44.0974 57.8141 0.9004 0.1106
|
|
152 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
153 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
154 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
155 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
156 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
157 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
158 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
159 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
160 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
161 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
162 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
163 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
164 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
165 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
166 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
167 4 -1.4636 44.0974 57.8143 0.9004 0.1106
|
|
168 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
169 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
170 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
171 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
172 4 -1.4636 45.2130 58.2972 0.8917 0.1215
|
|
173 4 -1.1730 43.9304 85.8646 1.0854 -0.0787
|
|
174 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
175 4 -1.7220 25.1384 114.8461 1.0575 -0.0544
|
|
176 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
177 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
178 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
179 4 -1.7220 25.1383 114.8462 1.0575 -0.0544
|
|
180 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
181 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
182 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
183 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
184 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
186 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
187 4 -0.4858 47.7061 135.9856 2.0068 -0.5017
|
|
188 4 -1.7220 27.3434 117.1906 1.0785 -0.0728
|
|
189 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
190 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
191 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
192 4 -1.7220 26.9290 116.8407 1.0817 -0.0755
|
|
193 4 -1.4636 44.6396 57.0311 0.8935 0.1192
|
|
194 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
195 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
196 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
197 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
198 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
199 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
200 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
201 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
202 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
203 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
204 4 -1.4636 44.6397 57.0309 0.8935 0.1192
|
|
205 4 -1.7220 26.9292 116.8407 1.0816 -0.0755
|
|
206 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
207 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
208 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
209 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
210 4 -0.4858 47.7062 135.9856 2.0069 -0.5017
|
|
211 4 -1.0239 65.2645 30.0754 0.8925 0.1205
|
|
212 4 -1.7220 27.3432 117.1907 1.0785 -0.0728
|
|
213 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -1.4636 45.2130 58.2973 0.8917 0.1215
|
|
215 4 -0.4858 49.4023 137.9273 2.0607 -0.5147
|
|
216 4 -0.3746 82.3504 52.0826 0.9713 0.0296
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 32Mb
|
|
VmPeak = 300Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 12.00s CPU 12.22s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 7.80s CPU 8.22s WALL ( 1 calls)
|
|
ep-interp : 7.66s CPU 8.06s WALL ( 216 calls)
|
|
|
|
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
ep: step 1 : 0.00s CPU 0.00s WALL ( 162 calls)
|
|
ep: step 2 : 0.03s CPU 0.03s WALL ( 162 calls)
|
|
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
|
|
HamW2B : 2.61s CPU 2.73s WALL ( 560520 calls)
|
|
ephW2Bp : 0.15s CPU 0.15s WALL ( 1296 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 21.38s CPU 22.02s WALL
|
|
|
|
|
|
Please consider citing:
|
|
S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
|
|
|
|
In addition, if you used anisotropic Eliashberg superconductivity please cite:
|
|
E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013)
|
|
if you used transport properties (scattering rates, mobility) please cite:
|
|
S. Ponce, E. R. Margine and F. Giustino, Phys. Rev. B 97, 121201 (2018)
|