mirror of https://gitlab.com/QEF/q-e.git
2583 lines
187 KiB
Plaintext
2583 lines
187 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 18:53:45
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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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------------------------------------------------------------------------
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RESTART - RESTART - RESTART - RESTART
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Restart is done without reading PWSCF save file.
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Be aware that some consistency checks are therefore not done.
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------------------------------------------------------------------------
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--
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bravais-lattice index = 0
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lattice parameter (a_0) = 0.0000 a.u.
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unit-cell volume = 0.0000 (a.u.)^3
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number of atoms/cell = 0
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number of atomic types = 0
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kinetic-energy cut-off = 0.0000 Ry
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charge density cut-off = 0.0000 Ry
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Exchange-correlation = not set (-1 -1 -1 -1-1-1)
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celldm(1)= 0.00000 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) = ( 0.0000 0.0000 0.0000 )
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a(2) = ( 0.0000 0.0000 0.0000 )
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a(3) = ( 0.0000 0.0000 0.0000 )
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reciprocal axes: (cart. coord. in units 2 pi/a_0)
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b(1) = ( 0.0000 0.0000 0.0000 )
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b(2) = ( 0.0000 0.0000 0.0000 )
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b(3) = ( 0.0000 0.0000 0.0000 )
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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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No symmetry!
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G cutoff = 0.0000 ( 0 G-vectors) FFT grid: ( 0, 0, 0)
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number of k points= 0
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cart. coord. in units 2pi/a_0
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EPW : 0.00s CPU 0.00s WALL
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EPW : 0.00s CPU 0.00s WALL
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No wavefunction gauge setting applied
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-------------------------------------------------------------------
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Using sic.ukk from disk
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-------------------------------------------------------------------
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Using kmap and kgmap from disk
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Do not need to read .epb files; read .fmt files
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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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Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
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Finished reading Wann rep data from file
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===================================================================
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Memory usage: VmHWM = 11Mb
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VmPeak = 271Mb
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===================================================================
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Using uniform q-mesh: 6 6 6
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Shifting q mesh to [-0.5:0.5[
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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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Calculation of Lindhard screening: use with care
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Warning: current implementation for doubly degenerate band, one valley
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Nel = 0.00100000, n = 0.00000716 au^-3, meff = 1.00000000
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EF = 0.10000000 eV, kF = 0.05961990 au^-1, rs = 3.85436111
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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]= 65.318858 meV Im[Sigma]= 4.275233 meV Z= 0.924782 lam= 0.081336
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E( 3 )= -0.0842 eV Re[Sigma]= 65.318858 meV Im[Sigma]= 4.275233 meV Z= 0.924782 lam= 0.081336
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E( 4 )= -0.0842 eV Re[Sigma]= 65.318858 meV Im[Sigma]= 4.275233 meV Z= 0.924782 lam= 0.081336
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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]= -60.979217 meV Im[Sigma]= 59.827727 meV Z= 0.877068 lam= 0.140162
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E( 3 )= -0.3746 eV Re[Sigma]= 81.674125 meV Im[Sigma]= 51.536951 meV Z= 0.972127 lam= 0.028672
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E( 4 )= -0.3746 eV Re[Sigma]= 81.674125 meV Im[Sigma]= 51.536951 meV Z= 0.972127 lam= 0.028672
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-------------------------------------------------------------------
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ik = 3 coord.: 0.0000000 0.0000000 0.3333333
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-------------------------------------------------------------------
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E( 2 )= -6.8685 eV Re[Sigma]= 0.258507 meV Im[Sigma]= 10.679243 meV Z= 0.997175 lam= 0.002833
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E( 3 )= -1.1730 eV Re[Sigma]= 43.594947 meV Im[Sigma]= 85.685114 meV Z= 1.085960 lam= -0.079156
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E( 4 )= -1.1730 eV Re[Sigma]= 43.594947 meV Im[Sigma]= 85.685114 meV Z= 1.085960 lam= -0.079156
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-------------------------------------------------------------------
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ik = 4 coord.: 0.0000000 0.0000000 0.5000000
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-------------------------------------------------------------------
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E( 2 )= -9.4227 eV Re[Sigma]= -6.742435 meV Im[Sigma]= 6.714925 meV Z= 1.006670 lam= -0.006626
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E( 3 )= -1.6810 eV Re[Sigma]= 23.395561 meV Im[Sigma]= 79.202796 meV Z= 0.881014 lam= 0.135056
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E( 4 )= -1.6810 eV Re[Sigma]= 23.395561 meV Im[Sigma]= 79.202796 meV Z= 0.881014 lam= 0.135056
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-------------------------------------------------------------------
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ik = 5 coord.: 0.0000000 0.0000000 0.6666667
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-------------------------------------------------------------------
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E( 2 )= -6.8685 eV Re[Sigma]= 0.258055 meV Im[Sigma]= 10.679288 meV Z= 0.997175 lam= 0.002833
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E( 3 )= -1.1730 eV Re[Sigma]= 43.592601 meV Im[Sigma]= 85.689545 meV Z= 1.085975 lam= -0.079168
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E( 4 )= -1.1730 eV Re[Sigma]= 43.592601 meV Im[Sigma]= 85.689545 meV Z= 1.085975 lam= -0.079168
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-------------------------------------------------------------------
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ik = 6 coord.: 0.0000000 0.0000000 0.8333333
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-------------------------------------------------------------------
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E( 2 )= -2.1472 eV Re[Sigma]= -60.984094 meV Im[Sigma]= 59.832324 meV Z= 0.877063 lam= 0.140168
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E( 3 )= -0.3746 eV Re[Sigma]= 81.677077 meV Im[Sigma]= 51.537253 meV Z= 0.972123 lam= 0.028677
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E( 4 )= -0.3746 eV Re[Sigma]= 81.677077 meV Im[Sigma]= 51.537253 meV Z= 0.972123 lam= 0.028677
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-------------------------------------------------------------------
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ik = 7 coord.: 0.0000000 0.1666667 0.0000000
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-------------------------------------------------------------------
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E( 2 )= -2.1472 eV Re[Sigma]= -62.812172 meV Im[Sigma]= 60.835418 meV Z= 0.878296 lam= 0.138568
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E( 3 )= -0.3746 eV Re[Sigma]= 80.311626 meV Im[Sigma]= 53.318638 meV Z= 0.981531 lam= 0.018817
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E( 4 )= -0.3746 eV Re[Sigma]= 80.311626 meV Im[Sigma]= 53.318638 meV Z= 0.981531 lam= 0.018817
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-------------------------------------------------------------------
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ik = 8 coord.: 0.0000000 0.1666667 0.1666667
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-------------------------------------------------------------------
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E( 2 )= -1.7072 eV Re[Sigma]= 32.455062 meV Im[Sigma]= 113.576223 meV Z= 0.971522 lam= 0.029312
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E( 3 )= -1.0239 eV Re[Sigma]= 65.143634 meV Im[Sigma]= 29.954728 meV Z= 0.893130 lam= 0.119658
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E( 4 )= -1.0239 eV Re[Sigma]= 65.143634 meV Im[Sigma]= 29.954728 meV Z= 0.893130 lam= 0.119658
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-------------------------------------------------------------------
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ik = 9 coord.: 0.0000000 0.1666667 0.3333333
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-------------------------------------------------------------------
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E( 2 )= -5.3050 eV Re[Sigma]= 11.140062 meV Im[Sigma]= 46.721439 meV Z= 1.057403 lam= -0.054287
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E( 3 )= -1.9550 eV Re[Sigma]= -30.534657 meV Im[Sigma]= 73.918923 meV Z= 0.893064 lam= 0.119741
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E( 4 )= -1.7220 eV Re[Sigma]= 25.114966 meV Im[Sigma]= 114.382309 meV Z= 1.057460 lam= -0.054338
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-------------------------------------------------------------------
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ik = 10 coord.: 0.0000000 0.1666667 0.5000000
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-------------------------------------------------------------------
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E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 11 coord.: 0.0000000 0.1666667 0.6666667
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-------------------------------------------------------------------
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E( 2 )= -7.7841 eV Re[Sigma]= 10.733728 meV Im[Sigma]= 51.410159 meV Z= 1.112117 lam= -0.100814
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E( 3 )= -3.5170 eV Re[Sigma]= 6.602845 meV Im[Sigma]= 40.186482 meV Z= 1.046965 lam= -0.044858
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E( 4 )= -1.4636 eV Re[Sigma]= 44.018649 meV Im[Sigma]= 57.556238 meV Z= 0.900814 lam= 0.110107
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-------------------------------------------------------------------
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ik = 12 coord.: 0.0000000 0.1666667 0.8333333
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-------------------------------------------------------------------
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E( 2 )= -4.2102 eV Re[Sigma]= -6.572739 meV Im[Sigma]= 23.227092 meV Z= 0.995829 lam= 0.004189
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E( 3 )= -2.2152 eV Re[Sigma]= -48.477567 meV Im[Sigma]= 64.168168 meV Z= 1.033680 lam= -0.032582
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E( 4 )= -0.4858 eV Re[Sigma]= 47.465418 meV Im[Sigma]= 134.390906 meV Z= 1.976820 lam= -0.494137
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-------------------------------------------------------------------
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ik = 13 coord.: 0.0000000 0.3333333 0.0000000
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-------------------------------------------------------------------
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E( 2 )= -6.8685 eV Re[Sigma]= -0.008966 meV Im[Sigma]= 10.679243 meV Z= 0.997310 lam= 0.002698
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E( 3 )= -1.1730 eV Re[Sigma]= 42.991551 meV Im[Sigma]= 85.530801 meV Z= 1.086854 lam= -0.079913
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E( 4 )= -1.1730 eV Re[Sigma]= 42.991551 meV Im[Sigma]= 85.530801 meV Z= 1.086854 lam= -0.079913
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-------------------------------------------------------------------
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ik = 14 coord.: 0.0000000 0.3333333 0.1666667
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-------------------------------------------------------------------
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E( 2 )= -5.3050 eV Re[Sigma]= 11.083824 meV Im[Sigma]= 44.825707 meV Z= 1.045904 lam= -0.043889
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E( 3 )= -1.9550 eV Re[Sigma]= -30.201157 meV Im[Sigma]= 73.296818 meV Z= 0.886320 lam= 0.128261
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E( 4 )= -1.7220 eV Re[Sigma]= 26.902967 meV Im[Sigma]= 116.310634 meV Z= 1.081107 lam= -0.075023
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-------------------------------------------------------------------
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ik = 15 coord.: 0.0000000 0.3333333 0.3333333
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-------------------------------------------------------------------
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E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 16 coord.: 0.0000000 0.3333333 0.5000000
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-------------------------------------------------------------------
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E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 17 coord.: 0.0000000 0.3333333 0.6666667
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-------------------------------------------------------------------
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E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 18 coord.: 0.0000000 0.3333333 0.8333333
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-------------------------------------------------------------------
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E( 2 )= -7.7841 eV Re[Sigma]= 10.327372 meV Im[Sigma]= 48.282823 meV Z= 1.098047 lam= -0.089292
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E( 3 )= -3.5170 eV Re[Sigma]= 6.984614 meV Im[Sigma]= 40.354177 meV Z= 1.049627 lam= -0.047281
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E( 4 )= -1.4636 eV Re[Sigma]= 44.552671 meV Im[Sigma]= 56.785833 meV Z= 0.893961 lam= 0.118616
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-------------------------------------------------------------------
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ik = 19 coord.: 0.0000000 0.5000000 0.0000000
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-------------------------------------------------------------------
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E( 2 )= -9.4227 eV Re[Sigma]= -6.680450 meV Im[Sigma]= 6.650957 meV Z= 1.006319 lam= -0.006280
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E( 3 )= -1.6810 eV Re[Sigma]= 24.130132 meV Im[Sigma]= 77.898967 meV Z= 0.885040 lam= 0.129892
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E( 4 )= -1.6810 eV Re[Sigma]= 24.130132 meV Im[Sigma]= 77.898967 meV Z= 0.885040 lam= 0.129892
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-------------------------------------------------------------------
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ik = 20 coord.: 0.0000000 0.5000000 0.1666667
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-------------------------------------------------------------------
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E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 21 coord.: 0.0000000 0.5000000 0.3333333
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-------------------------------------------------------------------
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E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 22 coord.: 0.0000000 0.5000000 0.5000000
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-------------------------------------------------------------------
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E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 23 coord.: 0.0000000 0.5000000 0.6666667
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-------------------------------------------------------------------
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E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 24 coord.: 0.0000000 0.5000000 0.8333333
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-------------------------------------------------------------------
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E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
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-------------------------------------------------------------------
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ik = 25 coord.: 0.0000000 0.6666667 0.0000000
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-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.009354 meV Im[Sigma]= 10.679288 meV Z= 0.997310 lam= 0.002698
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 42.989313 meV Im[Sigma]= 85.535243 meV Z= 1.086869 lam= -0.079926
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 42.989313 meV Im[Sigma]= 85.535243 meV Z= 1.086869 lam= -0.079926
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327573 meV Im[Sigma]= 48.282934 meV Z= 1.098046 lam= -0.089291
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.985141 meV Im[Sigma]= 40.353619 meV Z= 1.049627 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552471 meV Im[Sigma]= 56.785759 meV Z= 0.893961 lam= 0.118617
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.084330 meV Im[Sigma]= 44.828555 meV Z= 1.045906 lam= -0.043891
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201778 meV Im[Sigma]= 73.301301 meV Z= 0.886312 lam= 0.128271
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.906071 meV Im[Sigma]= 116.316259 meV Z= 1.081112 lam= -0.075027
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -62.817042 meV Im[Sigma]= 60.840124 meV Z= 0.878291 lam= 0.138575
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.314705 meV Im[Sigma]= 53.318641 meV Z= 0.981524 lam= 0.018824
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.314705 meV Im[Sigma]= 53.318641 meV Z= 0.981524 lam= 0.018824
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572671 meV Im[Sigma]= 23.227061 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477492 meV Im[Sigma]= 64.168217 meV Z= 1.033680 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465509 meV Im[Sigma]= 134.390861 meV Z= 1.976821 lam= -0.494137
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733489 meV Im[Sigma]= 51.409911 meV Z= 1.112117 lam= -0.100814
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602136 meV Im[Sigma]= 40.186874 meV Z= 1.046966 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.019008 meV Im[Sigma]= 57.556494 meV Z= 0.900814 lam= 0.110107
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.140566 meV Im[Sigma]= 46.724030 meV Z= 1.057405 lam= -0.054288
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535217 meV Im[Sigma]= 73.923350 meV Z= 0.893057 lam= 0.119750
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.117873 meV Im[Sigma]= 114.387871 meV Z= 1.057463 lam= -0.054341
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463180 meV Im[Sigma]= 113.584358 meV Z= 0.971513 lam= 0.029322
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149146 meV Im[Sigma]= 29.955106 meV Z= 0.893119 lam= 0.119671
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149146 meV Im[Sigma]= 29.955106 meV Z= 0.893119 lam= 0.119671
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.979219 meV Im[Sigma]= 59.827728 meV Z= 0.877068 lam= 0.140162
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.674124 meV Im[Sigma]= 51.536949 meV Z= 0.972127 lam= 0.028672
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.674124 meV Im[Sigma]= 51.536949 meV Z= 0.972127 lam= 0.028672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.454908 meV Im[Sigma]= 113.575792 meV Z= 0.971522 lam= 0.029313
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.143709 meV Im[Sigma]= 29.954682 meV Z= 0.893130 lam= 0.119658
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.143709 meV Im[Sigma]= 29.954682 meV Z= 0.893130 lam= 0.119658
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211090 meV Im[Sigma]= 45.611649 meV Z= 1.050078 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116191 meV Im[Sigma]= 74.044592 meV Z= 0.885685 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304726 meV Im[Sigma]= 116.689376 meV Z= 1.078130 lam= -0.072468
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833487 meV Im[Sigma]= 50.375011 meV Z= 1.107032 lam= -0.096684
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.880323 meV Im[Sigma]= 40.104372 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140754 meV Im[Sigma]= 58.071410 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305579 meV Im[Sigma]= 23.126386 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.627673 meV Im[Sigma]= 63.347729 meV Z= 1.030358 lam= -0.029463
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.142190 meV Im[Sigma]= 136.283835 meV Z= 2.027401 lam= -0.506758
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.455061 meV Im[Sigma]= 113.576225 meV Z= 0.971522 lam= 0.029312
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.143634 meV Im[Sigma]= 29.954727 meV Z= 0.893130 lam= 0.119658
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.143634 meV Im[Sigma]= 29.954727 meV Z= 0.893130 lam= 0.119658
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.977663 meV Im[Sigma]= 59.828150 meV Z= 0.877071 lam= 0.140159
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.673634 meV Im[Sigma]= 51.536807 meV Z= 0.972127 lam= 0.028672
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.673634 meV Im[Sigma]= 51.536807 meV Z= 0.972127 lam= 0.028672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.304875 meV Im[Sigma]= 23.125827 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.626622 meV Im[Sigma]= 63.346711 meV Z= 1.030361 lam= -0.029466
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.141798 meV Im[Sigma]= 136.283950 meV Z= 2.027405 lam= -0.506759
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833473 meV Im[Sigma]= 50.375795 meV Z= 1.107038 lam= -0.096689
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879892 meV Im[Sigma]= 40.104287 meV Z= 1.047287 lam= -0.045152
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140478 meV Im[Sigma]= 58.071447 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.210830 meV Im[Sigma]= 45.611990 meV Z= 1.050078 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116298 meV Im[Sigma]= 74.045432 meV Z= 0.885686 lam= 0.129068
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.303132 meV Im[Sigma]= 116.682383 meV Z= 1.078099 lam= -0.072441
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.083824 meV Im[Sigma]= 44.825707 meV Z= 1.045904 lam= -0.043889
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201156 meV Im[Sigma]= 73.296816 meV Z= 0.886320 lam= 0.128261
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.902967 meV Im[Sigma]= 116.310635 meV Z= 1.081108 lam= -0.075023
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572051 meV Im[Sigma]= 23.226547 meV Z= 0.995829 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.476508 meV Im[Sigma]= 64.167115 meV Z= 1.033683 lam= -0.032585
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465111 meV Im[Sigma]= 134.391013 meV Z= 1.976823 lam= -0.494138
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.212268 meV Im[Sigma]= 45.614209 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.117531 meV Im[Sigma]= 74.048111 meV Z= 0.885684 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304332 meV Im[Sigma]= 116.685942 meV Z= 1.078092 lam= -0.072435
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.327455 meV Im[Sigma]= 48.283317 meV Z= 1.098051 lam= -0.089295
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.984812 meV Im[Sigma]= 40.353480 meV Z= 1.049627 lam= -0.047281
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552097 meV Im[Sigma]= 56.785830 meV Z= 0.893962 lam= 0.118616
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.327573 meV Im[Sigma]= 48.282934 meV Z= 1.098046 lam= -0.089291
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.985141 meV Im[Sigma]= 40.353618 meV Z= 1.049627 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552471 meV Im[Sigma]= 56.785758 meV Z= 0.893961 lam= 0.118617
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= -6.572671 meV Im[Sigma]= 23.227062 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477492 meV Im[Sigma]= 64.168216 meV Z= 1.033680 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465508 meV Im[Sigma]= 134.390859 meV Z= 1.976821 lam= -0.494137
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.083636 meV Im[Sigma]= 44.826094 meV Z= 1.045904 lam= -0.043890
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201317 meV Im[Sigma]= 73.297555 meV Z= 0.886320 lam= 0.128260
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.901379 meV Im[Sigma]= 116.303991 meV Z= 1.081078 lam= -0.074997
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.213134 meV Im[Sigma]= 45.616006 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.118714 meV Im[Sigma]= 74.052358 meV Z= 0.885680 lam= 0.129076
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.305173 meV Im[Sigma]= 116.686355 meV Z= 1.078095 lam= -0.072438
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258506 meV Im[Sigma]= 10.679243 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.594947 meV Im[Sigma]= 85.685113 meV Z= 1.085960 lam= -0.079156
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.594947 meV Im[Sigma]= 85.685113 meV Z= 1.085960 lam= -0.079156
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211090 meV Im[Sigma]= 45.611649 meV Z= 1.050078 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116191 meV Im[Sigma]= 74.044591 meV Z= 0.885685 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304726 meV Im[Sigma]= 116.689375 meV Z= 1.078130 lam= -0.072468
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833428 meV Im[Sigma]= 50.375241 meV Z= 1.107033 lam= -0.096685
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879585 meV Im[Sigma]= 40.104807 meV Z= 1.047287 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.141177 meV Im[Sigma]= 58.071679 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140062 meV Im[Sigma]= 46.721440 meV Z= 1.057403 lam= -0.054287
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.534656 meV Im[Sigma]= 73.918921 meV Z= 0.893064 lam= 0.119741
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.114965 meV Im[Sigma]= 114.382309 meV Z= 1.057460 lam= -0.054338
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.304875 meV Im[Sigma]= 23.125828 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.626623 meV Im[Sigma]= 63.346710 meV Z= 1.030361 lam= -0.029466
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.141797 meV Im[Sigma]= 136.283948 meV Z= 2.027405 lam= -0.506759
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.141299 meV Im[Sigma]= 46.723830 meV Z= 1.057407 lam= -0.054291
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.536084 meV Im[Sigma]= 73.922500 meV Z= 0.893063 lam= 0.119741
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.114324 meV Im[Sigma]= 114.379189 meV Z= 1.057423 lam= -0.054305
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.212268 meV Im[Sigma]= 45.614211 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.117531 meV Im[Sigma]= 74.048111 meV Z= 0.885684 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304333 meV Im[Sigma]= 116.685939 meV Z= 1.078092 lam= -0.072435
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.257976 meV Im[Sigma]= 10.679568 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.597452 meV Im[Sigma]= 85.685891 meV Z= 1.085956 lam= -0.079153
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.597452 meV Im[Sigma]= 85.685891 meV Z= 1.085956 lam= -0.079153
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833005 meV Im[Sigma]= 50.375199 meV Z= 1.107035 lam= -0.096686
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878948 meV Im[Sigma]= 40.105026 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.142633 meV Im[Sigma]= 58.071594 meV Z= 0.892230 lam= 0.120787
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.733085 meV Im[Sigma]= 51.410253 meV Z= 1.112120 lam= -0.100817
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.601439 meV Im[Sigma]= 40.187143 meV Z= 1.046966 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.020483 meV Im[Sigma]= 57.556157 meV Z= 0.900807 lam= 0.110116
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.733489 meV Im[Sigma]= 51.409911 meV Z= 1.112117 lam= -0.100814
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602137 meV Im[Sigma]= 40.186874 meV Z= 1.046966 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.019007 meV Im[Sigma]= 57.556493 meV Z= 0.900814 lam= 0.110107
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= -6.742435 meV Im[Sigma]= 6.714924 meV Z= 1.006670 lam= -0.006626
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.395561 meV Im[Sigma]= 79.202797 meV Z= 0.881014 lam= 0.135056
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.395561 meV Im[Sigma]= 79.202797 meV Z= 0.881014 lam= 0.135056
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833473 meV Im[Sigma]= 50.375796 meV Z= 1.107038 lam= -0.096689
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879892 meV Im[Sigma]= 40.104288 meV Z= 1.047287 lam= -0.045152
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140478 meV Im[Sigma]= 58.071447 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833005 meV Im[Sigma]= 50.375199 meV Z= 1.107035 lam= -0.096686
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878948 meV Im[Sigma]= 40.105025 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.142633 meV Im[Sigma]= 58.071594 meV Z= 0.892230 lam= 0.120787
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= -6.742974 meV Im[Sigma]= 6.714925 meV Z= 1.006670 lam= -0.006626
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.402980 meV Im[Sigma]= 79.211296 meV Z= 0.881005 lam= 0.135067
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.402980 meV Im[Sigma]= 79.211296 meV Z= 0.881005 lam= 0.135067
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.832528 meV Im[Sigma]= 50.374265 meV Z= 1.107028 lam= -0.096680
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879105 meV Im[Sigma]= 40.104515 meV Z= 1.047283 lam= -0.045148
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140646 meV Im[Sigma]= 58.071746 meV Z= 0.892223 lam= 0.120795
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833355 meV Im[Sigma]= 50.375235 meV Z= 1.107029 lam= -0.096681
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878739 meV Im[Sigma]= 40.104397 meV Z= 1.047285 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.139134 meV Im[Sigma]= 58.071932 meV Z= 0.892230 lam= 0.120787
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258055 meV Im[Sigma]= 10.679288 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.592602 meV Im[Sigma]= 85.689546 meV Z= 1.085975 lam= -0.079168
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.592602 meV Im[Sigma]= 85.689546 meV Z= 1.085975 lam= -0.079168
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833487 meV Im[Sigma]= 50.375011 meV Z= 1.107032 lam= -0.096684
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.880323 meV Im[Sigma]= 40.104374 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140755 meV Im[Sigma]= 58.071411 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.211591 meV Im[Sigma]= 45.614512 meV Z= 1.050080 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116670 meV Im[Sigma]= 74.049035 meV Z= 0.885678 lam= 0.129079
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.307787 meV Im[Sigma]= 116.694661 meV Z= 1.078133 lam= -0.072471
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733728 meV Im[Sigma]= 51.410158 meV Z= 1.112117 lam= -0.100814
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602845 meV Im[Sigma]= 40.186483 meV Z= 1.046965 lam= -0.044858
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018649 meV Im[Sigma]= 57.556238 meV Z= 0.900814 lam= 0.110107
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.732686 meV Im[Sigma]= 51.409002 meV Z= 1.112111 lam= -0.100809
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.601658 meV Im[Sigma]= 40.186698 meV Z= 1.046962 lam= -0.044856
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018400 meV Im[Sigma]= 57.556619 meV Z= 0.900802 lam= 0.110122
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.832528 meV Im[Sigma]= 50.374265 meV Z= 1.107028 lam= -0.096680
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879105 meV Im[Sigma]= 40.104515 meV Z= 1.047283 lam= -0.045148
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140645 meV Im[Sigma]= 58.071745 meV Z= 0.892223 lam= 0.120795
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.257222 meV Im[Sigma]= 10.679522 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.592548 meV Im[Sigma]= 85.698518 meV Z= 1.085991 lam= -0.079182
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.592548 meV Im[Sigma]= 85.698518 meV Z= 1.085991 lam= -0.079182
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211547 meV Im[Sigma]= 45.615979 meV Z= 1.050081 lam= -0.047693
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116657 meV Im[Sigma]= 74.053082 meV Z= 0.885671 lam= 0.129088
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.309263 meV Im[Sigma]= 116.694871 meV Z= 1.078110 lam= -0.072451
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140565 meV Im[Sigma]= 46.724030 meV Z= 1.057405 lam= -0.054288
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535217 meV Im[Sigma]= 73.923351 meV Z= 0.893057 lam= 0.119750
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.117873 meV Im[Sigma]= 114.387869 meV Z= 1.057463 lam= -0.054341
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.140447 meV Im[Sigma]= 46.725758 meV Z= 1.057408 lam= -0.054291
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535311 meV Im[Sigma]= 73.927177 meV Z= 0.893049 lam= 0.119759
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.119054 meV Im[Sigma]= 114.387400 meV Z= 1.057439 lam= -0.054319
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305208 meV Im[Sigma]= 23.129953 meV Z= 0.995759 lam= 0.004259
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.631215 meV Im[Sigma]= 63.356864 meV Z= 1.030374 lam= -0.029478
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.144219 meV Im[Sigma]= 136.315141 meV Z= 2.027934 lam= -0.506887
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.984095 meV Im[Sigma]= 59.832325 meV Z= 0.877063 lam= 0.140168
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.677075 meV Im[Sigma]= 51.537252 meV Z= 0.972123 lam= 0.028677
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.677075 meV Im[Sigma]= 51.537252 meV Z= 0.972123 lam= 0.028677
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305580 meV Im[Sigma]= 23.126385 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.627673 meV Im[Sigma]= 63.347731 meV Z= 1.030358 lam= -0.029463
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.142190 meV Im[Sigma]= 136.283834 meV Z= 2.027401 lam= -0.506758
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833428 meV Im[Sigma]= 50.375240 meV Z= 1.107033 lam= -0.096685
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879585 meV Im[Sigma]= 40.104809 meV Z= 1.047287 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.141177 meV Im[Sigma]= 58.071679 meV Z= 0.892236 lam= 0.120780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.211591 meV Im[Sigma]= 45.614512 meV Z= 1.050080 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116670 meV Im[Sigma]= 74.049034 meV Z= 0.885678 lam= 0.129079
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.307787 meV Im[Sigma]= 116.694664 meV Z= 1.078133 lam= -0.072471
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463224 meV Im[Sigma]= 113.584726 meV Z= 0.971514 lam= 0.029322
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149159 meV Im[Sigma]= 29.955156 meV Z= 0.893120 lam= 0.119671
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149159 meV Im[Sigma]= 29.955156 meV Z= 0.893120 lam= 0.119671
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572739 meV Im[Sigma]= 23.227093 meV Z= 0.995829 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477566 meV Im[Sigma]= 64.168166 meV Z= 1.033680 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465418 meV Im[Sigma]= 134.390905 meV Z= 1.976820 lam= -0.494137
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.210829 meV Im[Sigma]= 45.611990 meV Z= 1.050078 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116298 meV Im[Sigma]= 74.045433 meV Z= 0.885686 lam= 0.129068
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.303132 meV Im[Sigma]= 116.682388 meV Z= 1.078099 lam= -0.072441
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.085887 meV Im[Sigma]= 44.830100 meV Z= 1.045909 lam= -0.043894
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.203485 meV Im[Sigma]= 73.304689 meV Z= 0.886315 lam= 0.128268
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.903395 meV Im[Sigma]= 116.307551 meV Z= 1.081073 lam= -0.074993
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327372 meV Im[Sigma]= 48.282822 meV Z= 1.098047 lam= -0.089292
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.984614 meV Im[Sigma]= 40.354176 meV Z= 1.049627 lam= -0.047281
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552671 meV Im[Sigma]= 56.785833 meV Z= 0.893961 lam= 0.118616
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.327409 meV Im[Sigma]= 48.283137 meV Z= 1.098044 lam= -0.089289
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.983704 meV Im[Sigma]= 40.353895 meV Z= 1.049626 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.550885 meV Im[Sigma]= 56.785883 meV Z= 0.893954 lam= 0.118626
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.084330 meV Im[Sigma]= 44.828554 meV Z= 1.045906 lam= -0.043891
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201778 meV Im[Sigma]= 73.301300 meV Z= 0.886312 lam= 0.128271
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.906070 meV Im[Sigma]= 116.316262 meV Z= 1.081112 lam= -0.075027
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 11.211547 meV Im[Sigma]= 45.615980 meV Z= 1.050081 lam= -0.047693
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116657 meV Im[Sigma]= 74.053083 meV Z= 0.885671 lam= 0.129088
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.309262 meV Im[Sigma]= 116.694871 meV Z= 1.078110 lam= -0.072451
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572316 meV Im[Sigma]= 23.230628 meV Z= 0.995832 lam= 0.004186
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.480992 meV Im[Sigma]= 64.177349 meV Z= 1.033696 lam= -0.032597
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.467352 meV Im[Sigma]= 134.422490 meV Z= 1.977332 lam= -0.494268
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463181 meV Im[Sigma]= 113.584355 meV Z= 0.971513 lam= 0.029322
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149146 meV Im[Sigma]= 29.955107 meV Z= 0.893119 lam= 0.119671
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149146 meV Im[Sigma]= 29.955107 meV Z= 0.893119 lam= 0.119671
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.213134 meV Im[Sigma]= 45.616005 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.118713 meV Im[Sigma]= 74.052358 meV Z= 0.885680 lam= 0.129076
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.305173 meV Im[Sigma]= 116.686355 meV Z= 1.078095 lam= -0.072438
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
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]= 10.833355 meV Im[Sigma]= 50.375236 meV Z= 1.107029 lam= -0.096681
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878739 meV Im[Sigma]= 40.104397 meV Z= 1.047285 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.139133 meV Im[Sigma]= 58.071931 meV Z= 0.892230 lam= 0.120787
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305208 meV Im[Sigma]= 23.129954 meV Z= 0.995759 lam= 0.004259
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.631213 meV Im[Sigma]= 63.356862 meV Z= 1.030374 lam= -0.029478
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.144219 meV Im[Sigma]= 136.315144 meV Z= 2.027934 lam= -0.506887
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.989412 meV Im[Sigma]= 59.840332 meV Z= 0.877060 lam= 0.140173
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.684279 meV Im[Sigma]= 51.538542 meV Z= 0.972113 lam= 0.028687
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.684279 meV Im[Sigma]= 51.538542 meV Z= 0.972113 lam= 0.028687
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 -0.0842 65.3189 4.2752 0.9248 0.0813
|
|
2 2 -2.1472 -60.9792 59.8277 0.8771 0.1402
|
|
3 2 -6.8685 0.2585 10.6792 0.9972 0.0028
|
|
4 2 -9.4227 -6.7424 6.7149 1.0067 -0.0066
|
|
5 2 -6.8685 0.2581 10.6793 0.9972 0.0028
|
|
6 2 -2.1472 -60.9841 59.8323 0.8771 0.1402
|
|
7 2 -2.1472 -62.8122 60.8354 0.8783 0.1386
|
|
8 2 -1.7072 32.4551 113.5762 0.9715 0.0293
|
|
9 2 -5.3050 11.1401 46.7214 1.0574 -0.0543
|
|
10 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -7.7841 10.7337 51.4102 1.1121 -0.1008
|
|
12 2 -4.2102 -6.5727 23.2271 0.9958 0.0042
|
|
13 2 -6.8685 -0.0090 10.6792 0.9973 0.0027
|
|
14 2 -5.3050 11.0838 44.8257 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 10.3274 48.2828 1.0980 -0.0893
|
|
19 2 -9.4227 -6.6805 6.6510 1.0063 -0.0063
|
|
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 -0.0094 10.6793 0.9973 0.0027
|
|
26 2 -7.7841 10.3276 48.2829 1.0980 -0.0893
|
|
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 11.0843 44.8286 1.0459 -0.0439
|
|
31 2 -2.1472 -62.8170 60.8401 0.8783 0.1386
|
|
32 2 -4.2102 -6.5727 23.2271 0.9958 0.0042
|
|
33 2 -7.7841 10.7335 51.4099 1.1121 -0.1008
|
|
34 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -5.3050 11.1406 46.7240 1.0574 -0.0543
|
|
36 2 -1.7072 32.4632 113.5844 0.9715 0.0293
|
|
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|
|
173 4 -1.1730 43.5925 85.6985 1.0860 -0.0792
|
|
174 4 -1.7220 27.3093 116.6949 1.0781 -0.0725
|
|
175 4 -1.7220 25.1179 114.3879 1.0575 -0.0543
|
|
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 25.1191 114.3874 1.0574 -0.0543
|
|
180 4 -0.4858 49.1442 136.3151 2.0279 -0.5069
|
|
181 4 -0.3746 81.6771 51.5373 0.9721 0.0287
|
|
182 4 -0.4858 49.1422 136.2838 2.0274 -0.5068
|
|
183 4 -1.4636 45.1412 58.0717 0.8922 0.1208
|
|
184 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -1.7220 27.3078 116.6947 1.0781 -0.0725
|
|
186 4 -1.0239 65.1492 29.9552 0.8931 0.1197
|
|
187 4 -0.4858 47.4654 134.3909 1.9768 -0.4941
|
|
188 4 -1.7220 27.3031 116.6824 1.0781 -0.0724
|
|
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 26.9034 116.3076 1.0811 -0.0750
|
|
193 4 -1.4636 44.5527 56.7858 0.8940 0.1186
|
|
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 44.5509 56.7859 0.8940 0.1186
|
|
205 4 -1.7220 26.9061 116.3163 1.0811 -0.0750
|
|
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 27.3093 116.6949 1.0781 -0.0725
|
|
210 4 -0.4858 47.4674 134.4225 1.9773 -0.4943
|
|
211 4 -1.0239 65.1491 29.9551 0.8931 0.1197
|
|
212 4 -1.7220 27.3052 116.6864 1.0781 -0.0724
|
|
213 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -1.4636 45.1391 58.0719 0.8922 0.1208
|
|
215 4 -0.4858 49.1442 136.3151 2.0279 -0.5069
|
|
216 4 -0.3746 81.6843 51.5385 0.9721 0.0287
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 15Mb
|
|
VmPeak = 290Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 1.53s CPU 1.72s WALL ( 1 calls)
|
|
ep-interp : 1.48s CPU 1.67s WALL ( 216 calls)
|
|
|
|
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
|
|
HamW2B : 0.43s CPU 0.48s WALL ( 93960 calls)
|
|
ephW2Bp : 0.10s CPU 0.12s WALL ( 216 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 1.53s CPU 1.73s 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)
|