mirror of https://gitlab.com/QEF/q-e.git
2567 lines
186 KiB
Plaintext
2567 lines
186 KiB
Plaintext
|
|
``:oss/
|
|
`.+s+. .+ys--yh+ `./ss+.
|
|
-sh//yy+` +yy +yy -+h+-oyy
|
|
-yh- .oyy/.-sh. .syo-.:sy- /yh
|
|
`.-.` `yh+ -oyyyo. `/syys: oys `.`
|
|
`/+ssys+-` `sh+ ` oys` .:osyo`
|
|
-yh- ./syyooyo` .sys+/oyo--yh/
|
|
`yy+ .-:-. `-/+/:` -sh-
|
|
/yh. oys
|
|
``..---hho---------` .---------..` `.-----.` -hd+---.
|
|
`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
|
|
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
|
|
-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
|
|
-yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo`
|
|
.sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh:
|
|
`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
|
|
`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
|
|
+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
|
|
syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
|
|
/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
|
|
-yh- ```````````````` ````````` `` `` oys
|
|
-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
|
|
shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
|
|
|
|
S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
|
|
Comput. Phys. Commun. 209, 116 (2016)
|
|
|
|
|
|
Program EPW v.5.0.0 starts on 17Oct2018 at 10:32: 5
|
|
|
|
This program is part of the open-source Quantum ESPRESSO suite
|
|
for quantum simulation of materials; please cite
|
|
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
|
|
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
|
|
URL http://www.quantum-espresso.org",
|
|
in publications or presentations arising from this work. More details at
|
|
http://www.quantum-espresso.org/quote
|
|
|
|
Parallel version (MPI), running on 4 processors
|
|
|
|
MPI processes distributed on 1 nodes
|
|
K-points division: npool = 4
|
|
|
|
------------------------------------------------------------------------
|
|
RESTART - RESTART - RESTART - RESTART
|
|
Restart is done without reading PWSCF save file.
|
|
Be aware that some consistency checks are therefore not done.
|
|
------------------------------------------------------------------------
|
|
|
|
|
|
--
|
|
|
|
bravais-lattice index = 0
|
|
lattice parameter (a_0) = 0.0000 a.u.
|
|
unit-cell volume = 0.0000 (a.u.)^3
|
|
number of atoms/cell = 0
|
|
number of atomic types = 0
|
|
kinetic-energy cut-off = 0.0000 Ry
|
|
charge density cut-off = 0.0000 Ry
|
|
convergence threshold = 0.0E+00
|
|
beta = 0.0000
|
|
number of iterations used = 0
|
|
Exchange-correlation = not set (-1 -1 -1 -1-1-1)
|
|
|
|
|
|
celldm(1)= 0.00000 celldm(2)= 0.00000 celldm(3)= 0.00000
|
|
celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
|
|
|
|
crystal axes: (cart. coord. in units of a_0)
|
|
a(1) = ( 0.0000 0.0000 0.0000 )
|
|
a(2) = ( 0.0000 0.0000 0.0000 )
|
|
a(3) = ( 0.0000 0.0000 0.0000 )
|
|
|
|
reciprocal axes: (cart. coord. in units 2 pi/a_0)
|
|
b(1) = ( 0.0000 0.0000 0.0000 )
|
|
b(2) = ( 0.0000 0.0000 0.0000 )
|
|
b(3) = ( 0.0000 0.0000 0.0000 )
|
|
|
|
|
|
Atoms inside the unit cell:
|
|
|
|
Cartesian axes
|
|
|
|
site n. atom mass positions (a_0 units)
|
|
|
|
|
|
No symmetry!
|
|
|
|
G cutoff = 0.0000 ( 0 G-vectors) FFT grid: ( 0, 0, 0)
|
|
number of k points= 0
|
|
cart. coord. in units 2pi/a_0
|
|
EPW : 0.00s CPU 0.00s WALL
|
|
|
|
EPW : 0.00s CPU 0.00s WALL
|
|
|
|
No wavefunction gauge setting applied
|
|
|
|
-------------------------------------------------------------------
|
|
Using diam.ukk from disk
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
Using kmap and kgmap from disk
|
|
|
|
Do not need to read .epb files; read .fmt files
|
|
|
|
|
|
Band disentanglement is used: nbndsub = 4
|
|
|
|
Use zone-centred Wigner-Seitz cells
|
|
Number of WS vectors for electrons 43
|
|
Number of WS vectors for phonons 43
|
|
Number of WS vectors for electron-phonon 43
|
|
Maximum number of cores for efficient parallelization 258
|
|
Results may improve by using use_ws == .true.
|
|
|
|
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
|
|
|
|
|
|
Finished reading Wann rep data from file
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 13Mb
|
|
VmPeak = 403Mb
|
|
===================================================================
|
|
|
|
Using uniform q-mesh: 6 6 6
|
|
Size of q point mesh for interpolation: 216
|
|
Using uniform k-mesh: 6 6 6
|
|
Size of k point mesh for interpolation: 432
|
|
Max number of k points per pool: 108
|
|
|
|
Fermi energy coarse grid = 14.009584 eV
|
|
|
|
Fermi energy is calculated from the fine k-mesh: Ef = 13.315717 eV
|
|
|
|
Warning: check if difference with Fermi level fine grid makes sense
|
|
|
|
===================================================================
|
|
|
|
ibndmin = 2 ebndmin = 0.871
|
|
ibndmax = 4 ebndmax = 1.021
|
|
|
|
|
|
Number of ep-matrix elements per pool : 2916 ~= 22.78 Kb (@ 8 bytes/ DP)
|
|
|
|
A selecq.fmt file was found but re-created because selecqread == .false.
|
|
We only need to compute 149 q-points
|
|
|
|
Restart from: 100/ 149
|
|
Progression iq (fine) = 100/ 149
|
|
Average over degenerate eigenstates is performed
|
|
WARNING: only the eigenstates within the Fermi window are meaningful
|
|
|
|
ik = 1 coord.: 0.0000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= 0.5751 eV Re[Sigma]= 61.185067 meV Im[Sigma]= 33.461934 meV Z= 1.001402 lam= -0.001400
|
|
E( 3 )= 0.5751 eV Re[Sigma]= 61.185067 meV Im[Sigma]= 33.461934 meV Z= 1.001402 lam= -0.001400
|
|
E( 4 )= 0.5751 eV Re[Sigma]= 61.185067 meV Im[Sigma]= 33.461934 meV Z= 1.001402 lam= -0.001400
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 2 coord.: 0.0000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181456 meV Im[Sigma]= 40.922157 meV Z= 1.012445 lam= -0.012292
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809496 meV Im[Sigma]= 118.814522 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809496 meV Im[Sigma]= 118.814522 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -13.8072 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181530 meV Im[Sigma]= 40.922222 meV Z= 1.012446 lam= -0.012293
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809443 meV Im[Sigma]= 118.814500 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809443 meV Im[Sigma]= 118.814500 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.318436 meV Im[Sigma]= 41.071193 meV Z= 1.013485 lam= -0.013306
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 71.313190 meV Im[Sigma]= 114.983708 meV Z= 1.118482 lam= -0.105931
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 71.313190 meV Im[Sigma]= 114.983708 meV Z= 1.118482 lam= -0.105931
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909051 meV Im[Sigma]= 119.373153 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409975 meV Im[Sigma]= 85.155502 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409975 meV Im[Sigma]= 85.155502 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -7.266523 meV Im[Sigma]= 37.800008 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350736 meV Im[Sigma]= 43.944127 meV Z= 1.034017 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584416 meV Im[Sigma]= 93.009589 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -13.8072 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -11.7328 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.7291 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7291 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.318570 meV Im[Sigma]= 41.071141 meV Z= 1.013485 lam= -0.013306
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 71.313141 meV Im[Sigma]= 114.983713 meV Z= 1.118482 lam= -0.105931
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 71.313141 meV Im[Sigma]= 114.983713 meV Z= 1.118482 lam= -0.105931
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -7.266522 meV Im[Sigma]= 37.800020 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350693 meV Im[Sigma]= 43.944194 meV Z= 1.034018 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584352 meV Im[Sigma]= 93.009508 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909059 meV Im[Sigma]= 119.373220 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409942 meV Im[Sigma]= 85.155451 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409942 meV Im[Sigma]= 85.155451 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181455 meV Im[Sigma]= 40.922161 meV Z= 1.012445 lam= -0.012292
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809498 meV Im[Sigma]= 118.814514 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809498 meV Im[Sigma]= 118.814514 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909056 meV Im[Sigma]= 119.373225 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409951 meV Im[Sigma]= 85.155434 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409951 meV Im[Sigma]= 85.155434 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920509 meV Im[Sigma]= 38.568277 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239705 meV Im[Sigma]= 43.800278 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261333 meV Im[Sigma]= 94.167949 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909055 meV Im[Sigma]= 119.373140 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409974 meV Im[Sigma]= 85.155493 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409974 meV Im[Sigma]= 85.155493 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181537 meV Im[Sigma]= 40.922241 meV Z= 1.012446 lam= -0.012293
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809432 meV Im[Sigma]= 118.814475 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809432 meV Im[Sigma]= 118.814475 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920518 meV Im[Sigma]= 38.568281 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239698 meV Im[Sigma]= 43.800264 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261332 meV Im[Sigma]= 94.167943 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -7.266533 meV Im[Sigma]= 37.800026 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350728 meV Im[Sigma]= 43.944108 meV Z= 1.034017 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584412 meV Im[Sigma]= 93.009590 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -5.1086 eV Re[Sigma]= -7.266534 meV Im[Sigma]= 37.800039 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350686 meV Im[Sigma]= 43.944169 meV Z= 1.034018 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584350 meV Im[Sigma]= 93.009513 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920518 meV Im[Sigma]= 38.568278 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239696 meV Im[Sigma]= 43.800262 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261331 meV Im[Sigma]= 94.167940 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -13.8072 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.7328 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.7291 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7291 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.7328 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.7291 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7291 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -13.8072 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7008 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.4985 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9505 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9505 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -10.4027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -9.1973 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.2949 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.9585 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -1.8301 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920520 meV Im[Sigma]= 38.568283 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239704 meV Im[Sigma]= 43.800279 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261329 meV Im[Sigma]= 94.167929 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181532 meV Im[Sigma]= 40.922215 meV Z= 1.012446 lam= -0.012293
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809441 meV Im[Sigma]= 118.814508 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809441 meV Im[Sigma]= 118.814508 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920507 meV Im[Sigma]= 38.568260 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239705 meV Im[Sigma]= 43.800291 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261333 meV Im[Sigma]= 94.167955 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909040 meV Im[Sigma]= 119.373153 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409973 meV Im[Sigma]= 85.155517 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409973 meV Im[Sigma]= 85.155517 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -7.266532 meV Im[Sigma]= 37.800017 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350736 meV Im[Sigma]= 43.944134 meV Z= 1.034017 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584412 meV Im[Sigma]= 93.009589 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -11.5030 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -8.1512 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -6.7958 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 )= -10.0058 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.0350 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -5.6464 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -11.6547 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -7.4860 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.9959 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 )= -8.6883 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.6454 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6958 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 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -7.266531 meV Im[Sigma]= 37.800036 meV Z= 1.044055 lam= -0.042196
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.350692 meV Im[Sigma]= 43.944181 meV Z= 1.034018 lam= -0.032898
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 14.584349 meV Im[Sigma]= 93.009497 meV Z= 1.037672 lam= -0.036304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.4688 eV Re[Sigma]= -18.909030 meV Im[Sigma]= 119.373204 meV Z= 1.174266 lam= -0.148404
|
|
E( 3 )= -1.2984 eV Re[Sigma]= 2.409946 meV Im[Sigma]= 85.155469 meV Z= 1.034881 lam= -0.033706
|
|
E( 4 )= -1.2984 eV Re[Sigma]= 2.409946 meV Im[Sigma]= 85.155469 meV Z= 1.034881 lam= -0.033706
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.6458 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0304 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3422 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -12.1777 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.2773 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6323 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 )= -10.4911 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.9866 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.3987 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.1086 eV Re[Sigma]= -6.920512 meV Im[Sigma]= 38.568277 meV Z= 1.045348 lam= -0.043381
|
|
E( 3 )= -3.1588 eV Re[Sigma]= -14.239703 meV Im[Sigma]= 43.800262 meV Z= 1.033625 lam= -0.032531
|
|
E( 4 )= -0.6906 eV Re[Sigma]= 15.261335 meV Im[Sigma]= 94.167953 meV Z= 1.038995 lam= -0.037532
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.3320 eV Re[Sigma]= -16.181464 meV Im[Sigma]= 40.922177 meV Z= 1.012445 lam= -0.012292
|
|
E( 3 )= -0.1922 eV Re[Sigma]= 74.809479 meV Im[Sigma]= 118.814492 meV Z= 1.123709 lam= -0.110090
|
|
E( 4 )= -0.1922 eV Re[Sigma]= 74.809479 meV Im[Sigma]= 118.814492 meV Z= 1.123709 lam= -0.110090
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 0.5751 61.1851 33.4619 1.0014 -0.0014
|
|
2 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
3 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
4 2 -13.8072 0.0000 0.0000 1.0000 0.0000
|
|
5 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
6 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
7 2 -2.3320 -16.3184 41.0712 1.0135 -0.0133
|
|
8 2 -1.4688 -18.9091 119.3732 1.1743 -0.1484
|
|
9 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
10 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
12 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
13 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
14 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
15 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
16 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
17 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
18 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
19 2 -13.8072 0.0000 0.0000 1.0000 0.0000
|
|
20 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
21 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
22 2 -11.7328 0.0000 0.0000 1.0000 0.0000
|
|
23 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
24 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
25 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
26 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
27 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
28 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
29 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
30 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
31 2 -2.3320 -16.3186 41.0711 1.0135 -0.0133
|
|
32 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
33 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
34 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
36 2 -1.4688 -18.9091 119.3732 1.1743 -0.1484
|
|
37 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
38 2 -1.4688 -18.9091 119.3732 1.1743 -0.1484
|
|
39 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
40 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
41 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
42 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
43 2 -1.4688 -18.9091 119.3731 1.1743 -0.1484
|
|
44 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
45 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
46 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
47 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
48 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
49 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
50 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
51 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
52 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
53 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
54 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
55 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
56 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
57 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
58 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
59 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
60 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
61 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
62 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
63 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
64 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
65 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
66 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
67 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
68 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
69 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
70 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
71 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
72 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
73 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
74 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
75 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
76 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
77 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
78 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
79 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
80 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
81 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
82 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
83 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
84 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
85 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
86 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
87 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
88 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
89 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
90 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
91 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
92 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
93 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
94 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
95 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
96 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
97 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
98 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
99 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
100 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
101 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
102 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
103 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
104 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
105 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
106 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
107 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
108 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
109 2 -13.8072 0.0000 0.0000 1.0000 0.0000
|
|
110 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
111 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
112 2 -11.7328 0.0000 0.0000 1.0000 0.0000
|
|
113 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
114 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
115 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
116 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
117 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
118 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
119 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
120 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
121 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
122 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
123 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
124 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
125 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
126 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
127 2 -11.7328 0.0000 0.0000 1.0000 0.0000
|
|
128 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
129 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
130 2 -13.8072 0.0000 0.0000 1.0000 0.0000
|
|
131 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
132 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
133 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
134 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
135 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
136 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
137 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
138 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
139 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
140 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
141 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
142 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
143 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
144 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
145 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
146 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
147 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
148 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
149 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
150 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
151 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
152 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
153 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
154 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
155 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
156 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
157 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
158 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
159 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
160 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
161 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
162 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
163 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
164 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
165 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
166 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
167 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
168 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
169 2 -6.4985 0.0000 0.0000 1.0000 0.0000
|
|
170 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
171 2 -10.4027 0.0000 0.0000 1.0000 0.0000
|
|
172 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
173 2 -8.9585 0.0000 0.0000 1.0000 0.0000
|
|
174 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
175 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
176 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
177 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
178 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
179 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
180 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
181 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
182 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
183 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
184 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
185 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
186 2 -1.4688 -18.9090 119.3732 1.1743 -0.1484
|
|
187 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
188 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
189 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
190 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
191 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
192 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
193 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
194 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
195 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
196 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
197 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
198 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
199 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
200 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
201 2 -11.5030 0.0000 0.0000 1.0000 0.0000
|
|
202 2 -10.0058 0.0000 0.0000 1.0000 0.0000
|
|
203 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
204 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
205 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
206 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
207 2 -11.6547 0.0000 0.0000 1.0000 0.0000
|
|
208 2 -8.6883 0.0000 0.0000 1.0000 0.0000
|
|
209 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
210 2 -5.1086 -7.2665 37.8000 1.0441 -0.0422
|
|
211 2 -1.4688 -18.9090 119.3732 1.1743 -0.1484
|
|
212 2 -6.6458 0.0000 0.0000 1.0000 0.0000
|
|
213 2 -12.1777 0.0000 0.0000 1.0000 0.0000
|
|
214 2 -10.4911 0.0000 0.0000 1.0000 0.0000
|
|
215 2 -5.1086 -6.9205 38.5683 1.0453 -0.0434
|
|
216 2 -2.3320 -16.1815 40.9222 1.0124 -0.0123
|
|
|
|
1 3 0.5751 61.1851 33.4619 1.0014 -0.0014
|
|
2 3 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
3 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
4 3 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
5 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
6 3 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
7 3 -0.1922 71.3132 114.9837 1.1185 -0.1059
|
|
8 3 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
9 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
10 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
11 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
12 3 -3.1588 -14.3507 43.9441 1.0340 -0.0329
|
|
13 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
14 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
15 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
16 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
17 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
18 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
19 3 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
20 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
21 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
22 3 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
23 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
24 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
25 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
26 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
27 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
28 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
29 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
30 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
31 3 -0.1922 71.3131 114.9837 1.1185 -0.1059
|
|
32 3 -3.1588 -14.3507 43.9442 1.0340 -0.0329
|
|
33 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
34 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
35 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
36 3 -1.2984 2.4099 85.1555 1.0349 -0.0337
|
|
37 3 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
38 3 -1.2984 2.4100 85.1554 1.0349 -0.0337
|
|
39 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
40 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
41 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
42 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
43 3 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
44 3 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
45 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
46 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
47 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
48 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
49 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
50 3 -3.1588 -14.3507 43.9441 1.0340 -0.0329
|
|
51 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
52 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
53 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
54 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
55 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
56 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
57 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
58 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
59 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
60 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
61 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
62 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
63 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
64 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
65 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
66 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
67 3 -3.1588 -14.3507 43.9442 1.0340 -0.0329
|
|
68 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
69 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
70 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
71 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
72 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
73 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
74 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
75 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
76 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
77 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
78 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
79 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
80 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
81 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
82 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
83 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
84 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
85 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
86 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
87 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
88 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
89 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
90 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
91 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
92 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
93 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
94 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
95 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
96 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
97 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
98 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
99 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
100 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
101 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
102 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
103 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
104 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
105 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
106 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
107 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
108 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
109 3 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
110 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
111 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
112 3 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
113 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
114 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
115 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
116 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
117 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
118 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
119 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
120 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
121 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
122 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
123 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
124 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
125 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
126 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
127 3 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
128 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
129 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
130 3 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
131 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
132 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
133 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
134 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
135 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
136 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
137 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
138 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
139 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
140 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
141 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
142 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
143 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
144 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
145 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
146 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
147 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
148 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
149 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
150 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
151 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
152 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
153 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
154 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
155 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
156 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
157 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
158 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
159 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
160 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
161 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
162 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
163 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
164 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
165 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
166 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
167 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
168 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
169 3 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
170 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
171 3 -9.1973 0.0000 0.0000 1.0000 0.0000
|
|
172 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
173 3 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
174 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
175 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
176 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
177 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
178 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
179 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
180 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
181 3 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
182 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
183 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
184 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
185 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
186 3 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
187 3 -3.1588 -14.3507 43.9441 1.0340 -0.0329
|
|
188 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
189 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
190 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
191 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
192 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
193 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
194 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
195 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
196 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
197 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
198 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
199 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
200 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
201 3 -8.1512 0.0000 0.0000 1.0000 0.0000
|
|
202 3 -7.0350 0.0000 0.0000 1.0000 0.0000
|
|
203 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
204 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
205 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
206 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
207 3 -7.4860 0.0000 0.0000 1.0000 0.0000
|
|
208 3 -6.6454 0.0000 0.0000 1.0000 0.0000
|
|
209 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
210 3 -3.1588 -14.3507 43.9442 1.0340 -0.0329
|
|
211 3 -1.2984 2.4099 85.1555 1.0349 -0.0337
|
|
212 3 -3.0304 0.0000 0.0000 1.0000 0.0000
|
|
213 3 -4.2773 0.0000 0.0000 1.0000 0.0000
|
|
214 3 -4.9866 0.0000 0.0000 1.0000 0.0000
|
|
215 3 -3.1588 -14.2397 43.8003 1.0336 -0.0325
|
|
216 3 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
|
|
1 4 0.5751 61.1851 33.4619 1.0014 -0.0014
|
|
2 4 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
3 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
4 4 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
5 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
6 4 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
7 4 -0.1922 71.3132 114.9837 1.1185 -0.1059
|
|
8 4 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
9 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
10 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
11 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
12 4 -0.6906 14.5844 93.0096 1.0377 -0.0363
|
|
13 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
14 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
15 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
16 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
17 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
18 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
19 4 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
20 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
21 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
22 4 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
23 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
24 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
25 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
26 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
27 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
28 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
29 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
30 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
31 4 -0.1922 71.3131 114.9837 1.1185 -0.1059
|
|
32 4 -0.6906 14.5844 93.0095 1.0377 -0.0363
|
|
33 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
34 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
35 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
36 4 -1.2984 2.4099 85.1555 1.0349 -0.0337
|
|
37 4 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
38 4 -1.2984 2.4100 85.1554 1.0349 -0.0337
|
|
39 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
40 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
41 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
42 4 -0.6906 15.2613 94.1679 1.0390 -0.0375
|
|
43 4 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
44 4 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
45 4 -0.6906 15.2613 94.1679 1.0390 -0.0375
|
|
46 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
47 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
48 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
49 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
50 4 -0.6906 14.5844 93.0096 1.0377 -0.0363
|
|
51 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
52 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
53 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
54 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
55 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
56 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
57 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
58 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
59 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
60 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
61 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
62 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
63 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
64 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
65 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
66 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
67 4 -0.6906 14.5843 93.0095 1.0377 -0.0363
|
|
68 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
69 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
70 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
71 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
72 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
73 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
74 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
75 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
76 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
77 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
78 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
79 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
80 4 -0.6906 15.2613 94.1679 1.0390 -0.0375
|
|
81 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
82 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
83 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
84 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
85 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
86 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
87 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
88 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
89 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
90 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
91 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
92 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
93 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
94 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
95 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
96 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
97 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
98 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
99 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
100 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
101 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
102 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
103 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
104 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
105 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
106 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
107 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
108 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
109 4 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
110 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
111 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
112 4 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
113 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
114 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
115 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
116 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
117 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
118 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
119 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
120 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
121 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
122 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
123 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
124 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
125 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
126 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
127 4 -6.7291 0.0000 0.0000 1.0000 0.0000
|
|
128 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
129 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
130 4 -2.7008 0.0000 0.0000 1.0000 0.0000
|
|
131 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
132 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
133 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
134 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
135 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
136 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
137 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
138 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
139 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
140 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
141 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
142 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
143 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
144 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
145 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
146 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
147 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
148 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
149 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
150 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
151 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
152 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
153 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
154 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
155 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
156 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
157 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
158 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
159 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
160 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
161 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
162 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
163 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
164 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
165 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
166 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
167 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
168 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
169 4 -4.9505 0.0000 0.0000 1.0000 0.0000
|
|
170 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
171 4 -4.2949 0.0000 0.0000 1.0000 0.0000
|
|
172 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
173 4 -1.8301 0.0000 0.0000 1.0000 0.0000
|
|
174 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
175 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
176 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
177 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
178 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
179 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
180 4 -0.6906 15.2613 94.1679 1.0390 -0.0375
|
|
181 4 -0.1922 74.8094 118.8145 1.1237 -0.1101
|
|
182 4 -0.6906 15.2613 94.1680 1.0390 -0.0375
|
|
183 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
184 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
186 4 -1.2984 2.4100 85.1555 1.0349 -0.0337
|
|
187 4 -0.6906 14.5844 93.0096 1.0377 -0.0363
|
|
188 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
189 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
190 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
191 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
192 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
193 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
194 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
195 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
196 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
197 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
198 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
199 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
200 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
201 4 -6.7958 0.0000 0.0000 1.0000 0.0000
|
|
202 4 -5.6464 0.0000 0.0000 1.0000 0.0000
|
|
203 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
204 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
205 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
206 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
207 4 -4.9959 0.0000 0.0000 1.0000 0.0000
|
|
208 4 -3.6958 0.0000 0.0000 1.0000 0.0000
|
|
209 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
210 4 -0.6906 14.5843 93.0095 1.0377 -0.0363
|
|
211 4 -1.2984 2.4099 85.1555 1.0349 -0.0337
|
|
212 4 -2.3422 0.0000 0.0000 1.0000 0.0000
|
|
213 4 -3.6323 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -2.3987 0.0000 0.0000 1.0000 0.0000
|
|
215 4 -0.6906 15.2613 94.1680 1.0390 -0.0375
|
|
216 4 -0.1922 74.8095 118.8145 1.1237 -0.1101
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 17Mb
|
|
VmPeak = 440Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 0.76s CPU 0.89s WALL ( 1 calls)
|
|
ep-interp : 0.46s CPU 0.56s WALL ( 50 calls)
|
|
|
|
DynW2B : 0.00s CPU 0.00s WALL ( 50 calls)
|
|
HamW2B : 0.20s CPU 0.22s WALL ( 46828 calls)
|
|
ephW2Bp : 0.06s CPU 0.07s WALL ( 300 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 0.76s CPU 0.89s 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)
|