mirror of https://gitlab.com/QEF/q-e.git
2578 lines
186 KiB
Plaintext
2578 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 11Oct2018 at 15:20:43
|
|
|
|
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 1 processors
|
|
|
|
MPI processes distributed on 1 nodes
|
|
|
|
------------------------------------------------------------------------
|
|
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 sic.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
|
|
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 = 11Mb
|
|
VmPeak = 273Mb
|
|
===================================================================
|
|
|
|
Using uniform q-mesh: 6 6 6
|
|
Shifting q mesh to [-0.5:0.5[
|
|
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: 432
|
|
|
|
Fermi energy coarse grid = 0.000000 eV
|
|
|
|
Fermi energy is calculated from the fine k-mesh: Ef = 10.139039 eV
|
|
|
|
Warning: check if difference with Fermi level fine grid makes sense
|
|
|
|
===================================================================
|
|
|
|
ibndmin = 2 ebndmin = 0.602
|
|
ibndmax = 4 ebndmax = 0.739
|
|
|
|
|
|
Number of ep-matrix elements per pool : 11664 ~= 91.12 Kb (@ 8 bytes/ DP)
|
|
Calculation of Lindhard screening: use with care
|
|
Warning: current implementation for doubly degenerate band, one valley
|
|
Nel = 0.00100000, n = 0.00000716 au^-3, meff = 1.00000000
|
|
EF = 0.10000000 eV, kF = 0.05961990 au^-1, rs = 3.85436152
|
|
|
|
===================================================================
|
|
Electron (Imaginary) Self-Energy in the Migdal Approximation
|
|
===================================================================
|
|
|
|
|
|
Fermi Surface thickness = 2.000000 eV
|
|
|
|
Golden Rule strictly enforced with T = 0.025852 eV
|
|
Gaussian Broadening: 0.100000 eV, ngauss= 1
|
|
|
|
Progression iq (fine) = 50/ 216
|
|
Progression iq (fine) = 100/ 216
|
|
Progression iq (fine) = 150/ 216
|
|
Progression iq (fine) = 200/ 216
|
|
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 )= -0.0842 eV Re[Sigma]= 65.318985 meV Im[Sigma]= 4.275227 meV Z= 0.924782 lam= 0.081336
|
|
E( 3 )= -0.0842 eV Re[Sigma]= 65.318985 meV Im[Sigma]= 4.275227 meV Z= 0.924782 lam= 0.081336
|
|
E( 4 )= -0.0842 eV Re[Sigma]= 65.318985 meV Im[Sigma]= 4.275227 meV Z= 0.924782 lam= 0.081336
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 2 coord.: 0.0000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.979134 meV Im[Sigma]= 59.827273 meV Z= 0.877068 lam= 0.140163
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.674473 meV Im[Sigma]= 51.537296 meV Z= 0.972127 lam= 0.028672
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.674473 meV Im[Sigma]= 51.537296 meV Z= 0.972127 lam= 0.028672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258493 meV Im[Sigma]= 10.679155 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.595008 meV Im[Sigma]= 85.685569 meV Z= 1.085961 lam= -0.079156
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.595008 meV Im[Sigma]= 85.685569 meV Z= 1.085961 lam= -0.079156
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.742408 meV Im[Sigma]= 6.714914 meV Z= 1.006670 lam= -0.006626
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.395622 meV Im[Sigma]= 79.202654 meV Z= 0.881013 lam= 0.135057
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.395622 meV Im[Sigma]= 79.202654 meV Z= 0.881013 lam= 0.135057
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258070 meV Im[Sigma]= 10.679260 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.592406 meV Im[Sigma]= 85.689343 meV Z= 1.085975 lam= -0.079168
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.592406 meV Im[Sigma]= 85.689343 meV Z= 1.085975 lam= -0.079168
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.984333 meV Im[Sigma]= 59.832477 meV Z= 0.877063 lam= 0.140169
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.677099 meV Im[Sigma]= 51.537213 meV Z= 0.972122 lam= 0.028677
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.677099 meV Im[Sigma]= 51.537213 meV Z= 0.972122 lam= 0.028677
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -62.812062 meV Im[Sigma]= 60.835131 meV Z= 0.878296 lam= 0.138568
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.311768 meV Im[Sigma]= 53.319070 meV Z= 0.981532 lam= 0.018815
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.311768 meV Im[Sigma]= 53.319070 meV Z= 0.981532 lam= 0.018815
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.454985 meV Im[Sigma]= 113.576057 meV Z= 0.971522 lam= 0.029313
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.143690 meV Im[Sigma]= 29.954760 meV Z= 0.893130 lam= 0.119658
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.143690 meV Im[Sigma]= 29.954760 meV Z= 0.893130 lam= 0.119658
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140139 meV Im[Sigma]= 46.721367 meV Z= 1.057403 lam= -0.054287
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.534901 meV Im[Sigma]= 73.919302 meV Z= 0.893063 lam= 0.119742
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.115063 meV Im[Sigma]= 114.382358 meV Z= 1.057459 lam= -0.054337
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733799 meV Im[Sigma]= 51.410058 meV Z= 1.112115 lam= -0.100813
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602854 meV Im[Sigma]= 40.186346 meV Z= 1.046965 lam= -0.044858
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018706 meV Im[Sigma]= 57.555879 meV Z= 0.900812 lam= 0.110110
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572740 meV Im[Sigma]= 23.227008 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477621 meV Im[Sigma]= 64.168200 meV Z= 1.033680 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465372 meV Im[Sigma]= 134.390932 meV Z= 1.976816 lam= -0.494136
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.008963 meV Im[Sigma]= 10.679156 meV Z= 0.997310 lam= 0.002698
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 42.991646 meV Im[Sigma]= 85.531120 meV Z= 1.086854 lam= -0.079913
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 42.991646 meV Im[Sigma]= 85.531120 meV Z= 1.086854 lam= -0.079913
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.083849 meV Im[Sigma]= 44.825502 meV Z= 1.045903 lam= -0.043888
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201329 meV Im[Sigma]= 73.296964 meV Z= 0.886319 lam= 0.128262
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.902921 meV Im[Sigma]= 116.310831 meV Z= 1.081109 lam= -0.075024
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327400 meV Im[Sigma]= 48.282590 meV Z= 1.098045 lam= -0.089291
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.984609 meV Im[Sigma]= 40.354239 meV Z= 1.049627 lam= -0.047281
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552457 meV Im[Sigma]= 56.785750 meV Z= 0.893961 lam= 0.118617
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.680434 meV Im[Sigma]= 6.650941 meV Z= 1.006319 lam= -0.006280
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 24.130216 meV Im[Sigma]= 77.898944 meV Z= 0.885040 lam= 0.129892
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 24.130216 meV Im[Sigma]= 77.898944 meV Z= 0.885040 lam= 0.129892
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.009332 meV Im[Sigma]= 10.679260 meV Z= 0.997309 lam= 0.002698
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 42.989097 meV Im[Sigma]= 85.534983 meV Z= 1.086868 lam= -0.079925
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 42.989097 meV Im[Sigma]= 85.534983 meV Z= 1.086868 lam= -0.079925
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327601 meV Im[Sigma]= 48.282769 meV Z= 1.098045 lam= -0.089290
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.985081 meV Im[Sigma]= 40.353480 meV Z= 1.049627 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552561 meV Im[Sigma]= 56.785465 meV Z= 0.893959 lam= 0.118619
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.084331 meV Im[Sigma]= 44.828503 meV Z= 1.045906 lam= -0.043891
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201755 meV Im[Sigma]= 73.301354 meV Z= 0.886312 lam= 0.128270
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.906221 meV Im[Sigma]= 116.316095 meV Z= 1.081110 lam= -0.075024
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -62.817209 meV Im[Sigma]= 60.840104 meV Z= 0.878290 lam= 0.138576
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.314888 meV Im[Sigma]= 53.318637 meV Z= 0.981523 lam= 0.018825
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.314888 meV Im[Sigma]= 53.318637 meV Z= 0.981523 lam= 0.018825
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572672 meV Im[Sigma]= 23.226983 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477595 meV Im[Sigma]= 64.168260 meV Z= 1.033679 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465467 meV Im[Sigma]= 134.391337 meV Z= 1.976825 lam= -0.494138
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733476 meV Im[Sigma]= 51.409647 meV Z= 1.112116 lam= -0.100813
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602093 meV Im[Sigma]= 40.186832 meV Z= 1.046965 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018873 meV Im[Sigma]= 57.556481 meV Z= 0.900814 lam= 0.110107
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140505 meV Im[Sigma]= 46.724074 meV Z= 1.057405 lam= -0.054289
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535263 meV Im[Sigma]= 73.923246 meV Z= 0.893057 lam= 0.119749
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.117876 meV Im[Sigma]= 114.387753 meV Z= 1.057462 lam= -0.054339
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463233 meV Im[Sigma]= 113.584374 meV Z= 0.971512 lam= 0.029323
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149256 meV Im[Sigma]= 29.955148 meV Z= 0.893119 lam= 0.119672
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149256 meV Im[Sigma]= 29.955148 meV Z= 0.893119 lam= 0.119672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.979135 meV Im[Sigma]= 59.827274 meV Z= 0.877068 lam= 0.140163
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.674472 meV Im[Sigma]= 51.537294 meV Z= 0.972127 lam= 0.028672
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.674472 meV Im[Sigma]= 51.537294 meV Z= 0.972127 lam= 0.028672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.454961 meV Im[Sigma]= 113.575808 meV Z= 0.971521 lam= 0.029314
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.143819 meV Im[Sigma]= 29.954723 meV Z= 0.893129 lam= 0.119659
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.143819 meV Im[Sigma]= 29.954723 meV Z= 0.893129 lam= 0.119659
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211133 meV Im[Sigma]= 45.611543 meV Z= 1.050077 lam= -0.047689
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116417 meV Im[Sigma]= 74.044747 meV Z= 0.885684 lam= 0.129071
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304825 meV Im[Sigma]= 116.689530 meV Z= 1.078130 lam= -0.072468
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833514 meV Im[Sigma]= 50.374894 meV Z= 1.107031 lam= -0.096683
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.880293 meV Im[Sigma]= 40.104193 meV Z= 1.047285 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140716 meV Im[Sigma]= 58.071276 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305589 meV Im[Sigma]= 23.126320 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.627726 meV Im[Sigma]= 63.347735 meV Z= 1.030357 lam= -0.029463
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.142218 meV Im[Sigma]= 136.284233 meV Z= 2.027405 lam= -0.506759
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.454984 meV Im[Sigma]= 113.576060 meV Z= 0.971522 lam= 0.029313
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.143690 meV Im[Sigma]= 29.954759 meV Z= 0.893130 lam= 0.119658
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.143690 meV Im[Sigma]= 29.954759 meV Z= 0.893130 lam= 0.119658
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.977901 meV Im[Sigma]= 59.828303 meV Z= 0.877071 lam= 0.140159
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.673656 meV Im[Sigma]= 51.536767 meV Z= 0.972126 lam= 0.028673
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.673656 meV Im[Sigma]= 51.536767 meV Z= 0.972126 lam= 0.028673
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.304885 meV Im[Sigma]= 23.125761 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.626675 meV Im[Sigma]= 63.346717 meV Z= 1.030360 lam= -0.029466
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.141825 meV Im[Sigma]= 136.284349 meV Z= 2.027409 lam= -0.506760
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833507 meV Im[Sigma]= 50.375587 meV Z= 1.107037 lam= -0.096688
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879894 meV Im[Sigma]= 40.104341 meV Z= 1.047287 lam= -0.045152
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140371 meV Im[Sigma]= 58.071226 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.210834 meV Im[Sigma]= 45.612020 meV Z= 1.050079 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116281 meV Im[Sigma]= 74.045318 meV Z= 0.885686 lam= 0.129068
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.303184 meV Im[Sigma]= 116.682108 meV Z= 1.078097 lam= -0.072439
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.083849 meV Im[Sigma]= 44.825501 meV Z= 1.045903 lam= -0.043888
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201328 meV Im[Sigma]= 73.296963 meV Z= 0.886319 lam= 0.128262
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.902921 meV Im[Sigma]= 116.310833 meV Z= 1.081109 lam= -0.075024
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572052 meV Im[Sigma]= 23.226462 meV Z= 0.995829 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.476562 meV Im[Sigma]= 64.167147 meV Z= 1.033683 lam= -0.032585
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465064 meV Im[Sigma]= 134.391039 meV Z= 1.976819 lam= -0.494137
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.212272 meV Im[Sigma]= 45.614239 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.117514 meV Im[Sigma]= 74.047997 meV Z= 0.885685 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304384 meV Im[Sigma]= 116.685667 meV Z= 1.078090 lam= -0.072433
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327483 meV Im[Sigma]= 48.283084 meV Z= 1.098049 lam= -0.089294
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.984806 meV Im[Sigma]= 40.353541 meV Z= 1.049627 lam= -0.047281
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.551883 meV Im[Sigma]= 56.785747 meV Z= 0.893961 lam= 0.118616
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327601 meV Im[Sigma]= 48.282768 meV Z= 1.098045 lam= -0.089290
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.985081 meV Im[Sigma]= 40.353479 meV Z= 1.049627 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552560 meV Im[Sigma]= 56.785464 meV Z= 0.893959 lam= 0.118619
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572672 meV Im[Sigma]= 23.226984 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477595 meV Im[Sigma]= 64.168259 meV Z= 1.033679 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465466 meV Im[Sigma]= 134.391334 meV Z= 1.976825 lam= -0.494138
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.083637 meV Im[Sigma]= 44.826042 meV Z= 1.045904 lam= -0.043889
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201294 meV Im[Sigma]= 73.297608 meV Z= 0.886321 lam= 0.128260
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.901530 meV Im[Sigma]= 116.303827 meV Z= 1.081075 lam= -0.074995
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.213177 meV Im[Sigma]= 45.615900 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.118939 meV Im[Sigma]= 74.052513 meV Z= 0.885679 lam= 0.129077
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.305272 meV Im[Sigma]= 116.686509 meV Z= 1.078094 lam= -0.072437
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258493 meV Im[Sigma]= 10.679155 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.595009 meV Im[Sigma]= 85.685568 meV Z= 1.085961 lam= -0.079156
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.595009 meV Im[Sigma]= 85.685568 meV Z= 1.085961 lam= -0.079156
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211133 meV Im[Sigma]= 45.611543 meV Z= 1.050077 lam= -0.047689
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116417 meV Im[Sigma]= 74.044746 meV Z= 0.885684 lam= 0.129071
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304825 meV Im[Sigma]= 116.689529 meV Z= 1.078130 lam= -0.072468
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833462 meV Im[Sigma]= 50.375033 meV Z= 1.107032 lam= -0.096684
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879587 meV Im[Sigma]= 40.104861 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.141069 meV Im[Sigma]= 58.071458 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140139 meV Im[Sigma]= 46.721369 meV Z= 1.057403 lam= -0.054287
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.534901 meV Im[Sigma]= 73.919301 meV Z= 0.893063 lam= 0.119742
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.115063 meV Im[Sigma]= 114.382358 meV Z= 1.057459 lam= -0.054337
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.304885 meV Im[Sigma]= 23.125762 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.626676 meV Im[Sigma]= 63.346715 meV Z= 1.030360 lam= -0.029466
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.141825 meV Im[Sigma]= 136.284346 meV Z= 2.027409 lam= -0.506760
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.141238 meV Im[Sigma]= 46.723875 meV Z= 1.057408 lam= -0.054291
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.536130 meV Im[Sigma]= 73.922396 meV Z= 0.893064 lam= 0.119740
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.114326 meV Im[Sigma]= 114.379071 meV Z= 1.057422 lam= -0.054304
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.212272 meV Im[Sigma]= 45.614241 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.117514 meV Im[Sigma]= 74.047997 meV Z= 0.885685 lam= 0.129070
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.304385 meV Im[Sigma]= 116.685664 meV Z= 1.078090 lam= -0.072433
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.257991 meV Im[Sigma]= 10.679540 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.597258 meV Im[Sigma]= 85.685689 meV Z= 1.085956 lam= -0.079153
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.597258 meV Im[Sigma]= 85.685689 meV Z= 1.085956 lam= -0.079153
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833032 meV Im[Sigma]= 50.375083 meV Z= 1.107034 lam= -0.096685
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878918 meV Im[Sigma]= 40.104847 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.142595 meV Im[Sigma]= 58.071460 meV Z= 0.892229 lam= 0.120788
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733155 meV Im[Sigma]= 51.410152 meV Z= 1.112119 lam= -0.100816
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.601449 meV Im[Sigma]= 40.187008 meV Z= 1.046966 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.020540 meV Im[Sigma]= 57.555799 meV Z= 0.900805 lam= 0.110118
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733476 meV Im[Sigma]= 51.409647 meV Z= 1.112116 lam= -0.100813
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602093 meV Im[Sigma]= 40.186833 meV Z= 1.046965 lam= -0.044859
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018872 meV Im[Sigma]= 57.556481 meV Z= 0.900814 lam= 0.110107
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.742408 meV Im[Sigma]= 6.714914 meV Z= 1.006670 lam= -0.006626
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.395622 meV Im[Sigma]= 79.202655 meV Z= 0.881013 lam= 0.135057
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.395622 meV Im[Sigma]= 79.202655 meV Z= 0.881013 lam= 0.135057
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833508 meV Im[Sigma]= 50.375588 meV Z= 1.107037 lam= -0.096688
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879894 meV Im[Sigma]= 40.104342 meV Z= 1.047287 lam= -0.045152
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140371 meV Im[Sigma]= 58.071225 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833032 meV Im[Sigma]= 50.375082 meV Z= 1.107034 lam= -0.096685
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878918 meV Im[Sigma]= 40.104847 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.142595 meV Im[Sigma]= 58.071460 meV Z= 0.892229 lam= 0.120788
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.742947 meV Im[Sigma]= 6.714914 meV Z= 1.006670 lam= -0.006626
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.403041 meV Im[Sigma]= 79.211154 meV Z= 0.881005 lam= 0.135068
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.403041 meV Im[Sigma]= 79.211154 meV Z= 0.881005 lam= 0.135068
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.832562 meV Im[Sigma]= 50.374057 meV Z= 1.107027 lam= -0.096679
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879106 meV Im[Sigma]= 40.104569 meV Z= 1.047283 lam= -0.045148
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140539 meV Im[Sigma]= 58.071525 meV Z= 0.892222 lam= 0.120797
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833382 meV Im[Sigma]= 50.375119 meV Z= 1.107028 lam= -0.096681
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878708 meV Im[Sigma]= 40.104219 meV Z= 1.047284 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.139096 meV Im[Sigma]= 58.071798 meV Z= 0.892229 lam= 0.120788
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.258070 meV Im[Sigma]= 10.679260 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.592407 meV Im[Sigma]= 85.689343 meV Z= 1.085974 lam= -0.079168
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.592407 meV Im[Sigma]= 85.689343 meV Z= 1.085974 lam= -0.079168
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833514 meV Im[Sigma]= 50.374894 meV Z= 1.107031 lam= -0.096683
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.880293 meV Im[Sigma]= 40.104196 meV Z= 1.047285 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140718 meV Im[Sigma]= 58.071277 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211595 meV Im[Sigma]= 45.614542 meV Z= 1.050080 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116653 meV Im[Sigma]= 74.048921 meV Z= 0.885678 lam= 0.129079
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.307839 meV Im[Sigma]= 116.694386 meV Z= 1.078131 lam= -0.072469
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.733798 meV Im[Sigma]= 51.410057 meV Z= 1.112115 lam= -0.100813
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.602855 meV Im[Sigma]= 40.186347 meV Z= 1.046965 lam= -0.044858
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018706 meV Im[Sigma]= 57.555880 meV Z= 0.900812 lam= 0.110110
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.732672 meV Im[Sigma]= 51.408737 meV Z= 1.112110 lam= -0.100808
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.601615 meV Im[Sigma]= 40.186657 meV Z= 1.046962 lam= -0.044855
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.018265 meV Im[Sigma]= 57.556606 meV Z= 0.900802 lam= 0.110122
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.832562 meV Im[Sigma]= 50.374057 meV Z= 1.107027 lam= -0.096679
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879107 meV Im[Sigma]= 40.104569 meV Z= 1.047283 lam= -0.045148
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.140537 meV Im[Sigma]= 58.071523 meV Z= 0.892222 lam= 0.120797
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.257208 meV Im[Sigma]= 10.679435 meV Z= 0.997175 lam= 0.002833
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.592609 meV Im[Sigma]= 85.698973 meV Z= 1.085991 lam= -0.079182
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.592609 meV Im[Sigma]= 85.698973 meV Z= 1.085991 lam= -0.079182
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211590 meV Im[Sigma]= 45.615874 meV Z= 1.050081 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116882 meV Im[Sigma]= 74.053237 meV Z= 0.885670 lam= 0.129089
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.309362 meV Im[Sigma]= 116.695024 meV Z= 1.078110 lam= -0.072451
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140505 meV Im[Sigma]= 46.724074 meV Z= 1.057405 lam= -0.054289
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535263 meV Im[Sigma]= 73.923246 meV Z= 0.893057 lam= 0.119749
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.117875 meV Im[Sigma]= 114.387751 meV Z= 1.057462 lam= -0.054339
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.140524 meV Im[Sigma]= 46.725686 meV Z= 1.057407 lam= -0.054291
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.535555 meV Im[Sigma]= 73.927557 meV Z= 0.893049 lam= 0.119760
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.119151 meV Im[Sigma]= 114.387448 meV Z= 1.057438 lam= -0.054318
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305218 meV Im[Sigma]= 23.129886 meV Z= 0.995759 lam= 0.004259
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.631268 meV Im[Sigma]= 63.356870 meV Z= 1.030373 lam= -0.029478
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.144246 meV Im[Sigma]= 136.315539 meV Z= 2.027938 lam= -0.506888
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.984334 meV Im[Sigma]= 59.832478 meV Z= 0.877063 lam= 0.140169
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.677097 meV Im[Sigma]= 51.537212 meV Z= 0.972122 lam= 0.028677
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.677097 meV Im[Sigma]= 51.537212 meV Z= 0.972122 lam= 0.028677
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305590 meV Im[Sigma]= 23.126319 meV Z= 0.995756 lam= 0.004262
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.627726 meV Im[Sigma]= 63.347737 meV Z= 1.030357 lam= -0.029463
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.142218 meV Im[Sigma]= 136.284232 meV Z= 2.027405 lam= -0.506759
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833462 meV Im[Sigma]= 50.375032 meV Z= 1.107032 lam= -0.096684
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.879586 meV Im[Sigma]= 40.104863 meV Z= 1.047286 lam= -0.045151
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.141070 meV Im[Sigma]= 58.071458 meV Z= 0.892235 lam= 0.120781
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211595 meV Im[Sigma]= 45.614542 meV Z= 1.050080 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116653 meV Im[Sigma]= 74.048920 meV Z= 0.885678 lam= 0.129079
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.307839 meV Im[Sigma]= 116.694389 meV Z= 1.078131 lam= -0.072469
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463147 meV Im[Sigma]= 113.584560 meV Z= 0.971513 lam= 0.029322
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149215 meV Im[Sigma]= 29.955188 meV Z= 0.893120 lam= 0.119671
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149215 meV Im[Sigma]= 29.955188 meV Z= 0.893120 lam= 0.119671
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572741 meV Im[Sigma]= 23.227009 meV Z= 0.995828 lam= 0.004189
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.477620 meV Im[Sigma]= 64.168198 meV Z= 1.033680 lam= -0.032582
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.465371 meV Im[Sigma]= 134.390931 meV Z= 1.976816 lam= -0.494136
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.210833 meV Im[Sigma]= 45.612020 meV Z= 1.050079 lam= -0.047690
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116281 meV Im[Sigma]= 74.045319 meV Z= 0.885686 lam= 0.129068
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.303184 meV Im[Sigma]= 116.682113 meV Z= 1.078097 lam= -0.072439
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.085911 meV Im[Sigma]= 44.829895 meV Z= 1.045909 lam= -0.043893
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.203657 meV Im[Sigma]= 73.304835 meV Z= 0.886314 lam= 0.128268
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.903350 meV Im[Sigma]= 116.307748 meV Z= 1.081074 lam= -0.074994
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327400 meV Im[Sigma]= 48.282590 meV Z= 1.098045 lam= -0.089291
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.984608 meV Im[Sigma]= 40.354238 meV Z= 1.049627 lam= -0.047281
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.552457 meV Im[Sigma]= 56.785750 meV Z= 0.893961 lam= 0.118617
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.327438 meV Im[Sigma]= 48.282972 meV Z= 1.098042 lam= -0.089288
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.983645 meV Im[Sigma]= 40.353756 meV Z= 1.049626 lam= -0.047280
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.550974 meV Im[Sigma]= 56.785589 meV Z= 0.893953 lam= 0.118627
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.084331 meV Im[Sigma]= 44.828502 meV Z= 1.045906 lam= -0.043891
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.201755 meV Im[Sigma]= 73.301353 meV Z= 0.886312 lam= 0.128270
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.906221 meV Im[Sigma]= 116.316097 meV Z= 1.081110 lam= -0.075025
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.211590 meV Im[Sigma]= 45.615874 meV Z= 1.050081 lam= -0.047692
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.116883 meV Im[Sigma]= 74.053238 meV Z= 0.885670 lam= 0.129089
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.309361 meV Im[Sigma]= 116.695025 meV Z= 1.078110 lam= -0.072451
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.572317 meV Im[Sigma]= 23.230550 meV Z= 0.995832 lam= 0.004186
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.481094 meV Im[Sigma]= 64.177392 meV Z= 1.033696 lam= -0.032597
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.467310 meV Im[Sigma]= 134.422965 meV Z= 1.977336 lam= -0.494269
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 32.463234 meV Im[Sigma]= 113.584371 meV Z= 0.971512 lam= 0.029323
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.149256 meV Im[Sigma]= 29.955148 meV Z= 0.893119 lam= 0.119672
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.149256 meV Im[Sigma]= 29.955148 meV Z= 0.893119 lam= 0.119672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.213177 meV Im[Sigma]= 45.615899 meV Z= 1.050083 lam= -0.047694
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.118939 meV Im[Sigma]= 74.052513 meV Z= 0.885679 lam= 0.129077
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.305272 meV Im[Sigma]= 116.686509 meV Z= 1.078094 lam= -0.072437
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.833382 meV Im[Sigma]= 50.375120 meV Z= 1.107028 lam= -0.096681
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.878708 meV Im[Sigma]= 40.104219 meV Z= 1.047284 lam= -0.045150
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.139095 meV Im[Sigma]= 58.071797 meV Z= 0.892229 lam= 0.120788
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.305218 meV Im[Sigma]= 23.129887 meV Z= 0.995759 lam= 0.004259
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.631266 meV Im[Sigma]= 63.356868 meV Z= 1.030373 lam= -0.029478
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.144246 meV Im[Sigma]= 136.315542 meV Z= 2.027938 lam= -0.506888
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -60.989329 meV Im[Sigma]= 59.839878 meV Z= 0.877059 lam= 0.140174
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 81.684627 meV Im[Sigma]= 51.538887 meV Z= 0.972113 lam= 0.028687
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 81.684627 meV Im[Sigma]= 51.538887 meV Z= 0.972113 lam= 0.028687
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 -0.0842 65.3190 4.2752 0.9248 0.0813
|
|
2 2 -2.1472 -60.9791 59.8273 0.8771 0.1402
|
|
3 2 -6.8685 0.2585 10.6792 0.9972 0.0028
|
|
4 2 -9.4227 -6.7424 6.7149 1.0067 -0.0066
|
|
5 2 -6.8685 0.2581 10.6793 0.9972 0.0028
|
|
6 2 -2.1472 -60.9843 59.8325 0.8771 0.1402
|
|
7 2 -2.1472 -62.8121 60.8351 0.8783 0.1386
|
|
8 2 -1.7072 32.4550 113.5761 0.9715 0.0293
|
|
9 2 -5.3050 11.1401 46.7214 1.0574 -0.0543
|
|
10 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -7.7841 10.7338 51.4101 1.1121 -0.1008
|
|
12 2 -4.2102 -6.5727 23.2270 0.9958 0.0042
|
|
13 2 -6.8685 -0.0090 10.6792 0.9973 0.0027
|
|
14 2 -5.3050 11.0838 44.8255 1.0459 -0.0439
|
|
15 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
16 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
17 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
18 2 -7.7841 10.3274 48.2826 1.0980 -0.0893
|
|
19 2 -9.4227 -6.6804 6.6509 1.0063 -0.0063
|
|
20 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
21 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
22 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
23 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
24 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
25 2 -6.8685 -0.0093 10.6793 0.9973 0.0027
|
|
26 2 -7.7841 10.3276 48.2828 1.0980 -0.0893
|
|
27 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
28 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
29 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
30 2 -5.3050 11.0843 44.8285 1.0459 -0.0439
|
|
31 2 -2.1472 -62.8172 60.8401 0.8783 0.1386
|
|
32 2 -4.2102 -6.5727 23.2270 0.9958 0.0042
|
|
33 2 -7.7841 10.7335 51.4096 1.1121 -0.1008
|
|
34 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -5.3050 11.1405 46.7241 1.0574 -0.0543
|
|
36 2 -1.7072 32.4632 113.5844 0.9715 0.0293
|
|
37 2 -2.1472 -60.9791 59.8273 0.8771 0.1402
|
|
38 2 -1.7072 32.4550 113.5758 0.9715 0.0293
|
|
39 2 -5.3050 11.2111 45.6115 1.0501 -0.0477
|
|
40 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
41 2 -7.7841 10.8335 50.3749 1.1070 -0.0967
|
|
42 2 -4.2102 -6.3056 23.1263 0.9958 0.0043
|
|
43 2 -1.7072 32.4550 113.5761 0.9715 0.0293
|
|
44 2 -2.1472 -60.9779 59.8283 0.8771 0.1402
|
|
45 2 -4.2102 -6.3049 23.1258 0.9958 0.0043
|
|
46 2 -7.7841 10.8335 50.3756 1.1070 -0.0967
|
|
47 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
48 2 -5.3050 11.2108 45.6120 1.0501 -0.0477
|
|
49 2 -5.3050 11.0838 44.8255 1.0459 -0.0439
|
|
50 2 -4.2102 -6.5721 23.2265 0.9958 0.0042
|
|
51 2 -5.3050 11.2123 45.6142 1.0501 -0.0477
|
|
52 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
53 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
54 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
55 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
56 2 -7.7841 10.3275 48.2831 1.0980 -0.0893
|
|
57 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
58 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
59 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
60 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
61 2 -7.7841 10.3276 48.2828 1.0980 -0.0893
|
|
62 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
63 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
64 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
65 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
66 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
67 2 -4.2102 -6.5727 23.2270 0.9958 0.0042
|
|
68 2 -5.3050 11.0836 44.8260 1.0459 -0.0439
|
|
69 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
70 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
71 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
72 2 -5.3050 11.2132 45.6159 1.0501 -0.0477
|
|
73 2 -6.8685 0.2585 10.6792 0.9972 0.0028
|
|
74 2 -5.3050 11.2111 45.6115 1.0501 -0.0477
|
|
75 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
76 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
77 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
78 2 -7.7841 10.8335 50.3750 1.1070 -0.0967
|
|
79 2 -5.3050 11.1401 46.7214 1.0574 -0.0543
|
|
80 2 -4.2102 -6.3049 23.1258 0.9958 0.0043
|
|
81 2 -5.3050 11.1412 46.7239 1.0574 -0.0543
|
|
82 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
83 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
84 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
85 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
86 2 -5.3050 11.2123 45.6142 1.0501 -0.0477
|
|
87 2 -6.8685 0.2580 10.6795 0.9972 0.0028
|
|
88 2 -7.7841 10.8330 50.3751 1.1070 -0.0967
|
|
89 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
90 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
91 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
92 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
93 2 -7.7841 10.7332 51.4102 1.1121 -0.1008
|
|
94 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
95 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
96 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
97 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
98 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
99 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
100 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
101 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
102 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
103 2 -7.7841 10.7335 51.4096 1.1121 -0.1008
|
|
104 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
105 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
106 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
107 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
108 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
109 2 -9.4227 -6.7424 6.7149 1.0067 -0.0066
|
|
110 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
111 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
112 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
113 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
114 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
115 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
116 2 -7.7841 10.8335 50.3756 1.1070 -0.0967
|
|
117 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
118 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
119 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
120 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
121 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
122 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
123 2 -7.7841 10.8330 50.3751 1.1070 -0.0967
|
|
124 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
125 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
126 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
127 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
128 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
129 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
130 2 -9.4227 -6.7429 6.7149 1.0067 -0.0066
|
|
131 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
132 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
133 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
134 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
135 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
136 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
137 2 -7.7841 10.8326 50.3741 1.1070 -0.0967
|
|
138 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
139 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
140 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
141 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
142 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
143 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
144 2 -7.7841 10.8334 50.3751 1.1070 -0.0967
|
|
145 2 -6.8685 0.2581 10.6793 0.9972 0.0028
|
|
146 2 -7.7841 10.8335 50.3749 1.1070 -0.0967
|
|
147 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
148 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
149 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
150 2 -5.3050 11.2116 45.6145 1.0501 -0.0477
|
|
151 2 -7.7841 10.7338 51.4101 1.1121 -0.1008
|
|
152 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
153 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
154 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
155 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
156 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
157 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
158 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
159 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
160 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
161 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
162 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
163 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
164 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
165 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
166 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
167 2 -7.7841 10.7327 51.4087 1.1121 -0.1008
|
|
168 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
169 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
170 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
171 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
172 2 -7.7841 10.8326 50.3741 1.1070 -0.0967
|
|
173 2 -6.8685 0.2572 10.6794 0.9972 0.0028
|
|
174 2 -5.3050 11.2116 45.6159 1.0501 -0.0477
|
|
175 2 -5.3050 11.1405 46.7241 1.0574 -0.0543
|
|
176 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
177 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
178 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
179 2 -5.3050 11.1405 46.7257 1.0574 -0.0543
|
|
180 2 -4.2102 -6.3052 23.1299 0.9958 0.0043
|
|
181 2 -2.1472 -60.9843 59.8325 0.8771 0.1402
|
|
182 2 -4.2102 -6.3056 23.1263 0.9958 0.0043
|
|
183 2 -7.7841 10.8335 50.3750 1.1070 -0.0967
|
|
184 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
185 2 -5.3050 11.2116 45.6145 1.0501 -0.0477
|
|
186 2 -1.7072 32.4631 113.5846 0.9715 0.0293
|
|
187 2 -4.2102 -6.5727 23.2270 0.9958 0.0042
|
|
188 2 -5.3050 11.2108 45.6120 1.0501 -0.0477
|
|
189 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
190 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
191 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
192 2 -5.3050 11.0859 44.8299 1.0459 -0.0439
|
|
193 2 -7.7841 10.3274 48.2826 1.0980 -0.0893
|
|
194 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
195 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
196 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
197 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
198 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
199 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
200 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
201 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
202 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
203 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
204 2 -7.7841 10.3274 48.2830 1.0980 -0.0893
|
|
205 2 -5.3050 11.0843 44.8285 1.0459 -0.0439
|
|
206 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
207 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
208 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
209 2 -5.3050 11.2116 45.6159 1.0501 -0.0477
|
|
210 2 -4.2102 -6.5723 23.2306 0.9958 0.0042
|
|
211 2 -1.7072 32.4632 113.5844 0.9715 0.0293
|
|
212 2 -5.3050 11.2132 45.6159 1.0501 -0.0477
|
|
213 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
214 2 -7.7841 10.8334 50.3751 1.1070 -0.0967
|
|
215 2 -4.2102 -6.3052 23.1299 0.9958 0.0043
|
|
216 2 -2.1472 -60.9893 59.8399 0.8771 0.1402
|
|
|
|
1 3 -0.0842 65.3190 4.2752 0.9248 0.0813
|
|
2 3 -0.3746 81.6745 51.5373 0.9721 0.0287
|
|
3 3 -1.1730 43.5950 85.6856 1.0860 -0.0792
|
|
4 3 -1.6810 23.3956 79.2027 0.8810 0.1351
|
|
5 3 -1.1730 43.5924 85.6893 1.0860 -0.0792
|
|
6 3 -0.3746 81.6771 51.5372 0.9721 0.0287
|
|
7 3 -0.3746 80.3118 53.3191 0.9815 0.0188
|
|
8 3 -1.0239 65.1437 29.9548 0.8931 0.1197
|
|
9 3 -1.9550 -30.5349 73.9193 0.8931 0.1197
|
|
10 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
11 3 -3.5170 6.6029 40.1863 1.0470 -0.0449
|
|
12 3 -2.2152 -48.4776 64.1682 1.0337 -0.0326
|
|
13 3 -1.1730 42.9916 85.5311 1.0869 -0.0799
|
|
14 3 -1.9550 -30.2013 73.2970 0.8863 0.1283
|
|
15 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
16 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
17 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
18 3 -3.5170 6.9846 40.3542 1.0496 -0.0473
|
|
19 3 -1.6810 24.1302 77.8989 0.8850 0.1299
|
|
20 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
21 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
22 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
23 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
24 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
25 3 -1.1730 42.9891 85.5350 1.0869 -0.0799
|
|
26 3 -3.5170 6.9851 40.3535 1.0496 -0.0473
|
|
27 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
28 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
29 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
30 3 -1.9550 -30.2018 73.3014 0.8863 0.1283
|
|
31 3 -0.3746 80.3149 53.3186 0.9815 0.0188
|
|
32 3 -2.2152 -48.4776 64.1683 1.0337 -0.0326
|
|
33 3 -3.5170 6.6021 40.1868 1.0470 -0.0449
|
|
34 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
35 3 -1.9550 -30.5353 73.9232 0.8931 0.1197
|
|
36 3 -1.0239 65.1493 29.9551 0.8931 0.1197
|
|
37 3 -0.3746 81.6745 51.5373 0.9721 0.0287
|
|
38 3 -1.0239 65.1438 29.9547 0.8931 0.1197
|
|
39 3 -1.9550 -31.1164 74.0447 0.8857 0.1291
|
|
40 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
41 3 -3.5170 6.8803 40.1042 1.0473 -0.0452
|
|
42 3 -2.2152 -48.6277 63.3477 1.0304 -0.0295
|
|
43 3 -1.0239 65.1437 29.9548 0.8931 0.1197
|
|
44 3 -0.3746 81.6737 51.5368 0.9721 0.0287
|
|
45 3 -2.2152 -48.6267 63.3467 1.0304 -0.0295
|
|
46 3 -3.5170 6.8799 40.1043 1.0473 -0.0452
|
|
47 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
48 3 -1.9550 -31.1163 74.0453 0.8857 0.1291
|
|
49 3 -1.9550 -30.2013 73.2970 0.8863 0.1283
|
|
50 3 -2.2152 -48.4766 64.1671 1.0337 -0.0326
|
|
51 3 -1.9550 -31.1175 74.0480 0.8857 0.1291
|
|
52 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
53 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
54 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
55 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
56 3 -3.5170 6.9848 40.3535 1.0496 -0.0473
|
|
57 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
58 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
59 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
60 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
61 3 -3.5170 6.9851 40.3535 1.0496 -0.0473
|
|
62 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
63 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
64 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
65 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
66 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
67 3 -2.2152 -48.4776 64.1683 1.0337 -0.0326
|
|
68 3 -1.9550 -30.2013 73.2976 0.8863 0.1283
|
|
69 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
70 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
71 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
72 3 -1.9550 -31.1189 74.0525 0.8857 0.1291
|
|
73 3 -1.1730 43.5950 85.6856 1.0860 -0.0792
|
|
74 3 -1.9550 -31.1164 74.0447 0.8857 0.1291
|
|
75 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
76 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
77 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
78 3 -3.5170 6.8796 40.1049 1.0473 -0.0452
|
|
79 3 -1.9550 -30.5349 73.9193 0.8931 0.1197
|
|
80 3 -2.2152 -48.6267 63.3467 1.0304 -0.0295
|
|
81 3 -1.9550 -30.5361 73.9224 0.8931 0.1197
|
|
82 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
83 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
84 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
85 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
86 3 -1.9550 -31.1175 74.0480 0.8857 0.1291
|
|
87 3 -1.1730 43.5973 85.6857 1.0860 -0.0792
|
|
88 3 -3.5170 6.8789 40.1048 1.0473 -0.0452
|
|
89 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
90 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
91 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
92 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
93 3 -3.5170 6.6014 40.1870 1.0470 -0.0449
|
|
94 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
95 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
96 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
97 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
98 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
99 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
100 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
101 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
102 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
103 3 -3.5170 6.6021 40.1868 1.0470 -0.0449
|
|
104 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
105 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
106 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
107 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
108 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
109 3 -1.6810 23.3956 79.2027 0.8810 0.1351
|
|
110 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
111 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
112 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
113 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
114 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
115 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
116 3 -3.5170 6.8799 40.1043 1.0473 -0.0452
|
|
117 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
118 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
119 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
120 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
121 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
122 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
123 3 -3.5170 6.8789 40.1048 1.0473 -0.0452
|
|
124 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
125 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
126 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
127 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
128 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
129 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
130 3 -1.6810 23.4030 79.2112 0.8810 0.1351
|
|
131 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
132 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
133 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
134 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
135 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
136 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
137 3 -3.5170 6.8791 40.1046 1.0473 -0.0451
|
|
138 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
139 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
140 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
141 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
142 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
143 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
144 3 -3.5170 6.8787 40.1042 1.0473 -0.0451
|
|
145 3 -1.1730 43.5924 85.6893 1.0860 -0.0792
|
|
146 3 -3.5170 6.8803 40.1042 1.0473 -0.0452
|
|
147 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
148 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
149 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
150 3 -1.9550 -31.1167 74.0489 0.8857 0.1291
|
|
151 3 -3.5170 6.6029 40.1863 1.0470 -0.0449
|
|
152 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
153 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
154 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
155 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
156 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
157 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
158 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
159 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
160 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
161 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
162 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
163 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
164 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
165 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
166 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
167 3 -3.5170 6.6016 40.1867 1.0470 -0.0449
|
|
168 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
169 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
170 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
171 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
172 3 -3.5170 6.8791 40.1046 1.0473 -0.0451
|
|
173 3 -1.1730 43.5926 85.6990 1.0860 -0.0792
|
|
174 3 -1.9550 -31.1169 74.0532 0.8857 0.1291
|
|
175 3 -1.9550 -30.5353 73.9232 0.8931 0.1197
|
|
176 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
177 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
178 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
179 3 -1.9550 -30.5356 73.9276 0.8930 0.1198
|
|
180 3 -2.2152 -48.6313 63.3569 1.0304 -0.0295
|
|
181 3 -0.3746 81.6771 51.5372 0.9721 0.0287
|
|
182 3 -2.2152 -48.6277 63.3477 1.0304 -0.0295
|
|
183 3 -3.5170 6.8796 40.1049 1.0473 -0.0452
|
|
184 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
185 3 -1.9550 -31.1167 74.0489 0.8857 0.1291
|
|
186 3 -1.0239 65.1492 29.9552 0.8931 0.1197
|
|
187 3 -2.2152 -48.4776 64.1682 1.0337 -0.0326
|
|
188 3 -1.9550 -31.1163 74.0453 0.8857 0.1291
|
|
189 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
190 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
191 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
192 3 -1.9550 -30.2037 73.3048 0.8863 0.1283
|
|
193 3 -3.5170 6.9846 40.3542 1.0496 -0.0473
|
|
194 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
195 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
196 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
197 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
198 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
199 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
200 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
201 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
202 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
203 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
204 3 -3.5170 6.9836 40.3538 1.0496 -0.0473
|
|
205 3 -1.9550 -30.2018 73.3014 0.8863 0.1283
|
|
206 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
207 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
208 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
209 3 -1.9550 -31.1169 74.0532 0.8857 0.1291
|
|
210 3 -2.2152 -48.4811 64.1774 1.0337 -0.0326
|
|
211 3 -1.0239 65.1493 29.9551 0.8931 0.1197
|
|
212 3 -1.9550 -31.1189 74.0525 0.8857 0.1291
|
|
213 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
214 3 -3.5170 6.8787 40.1042 1.0473 -0.0451
|
|
215 3 -2.2152 -48.6313 63.3569 1.0304 -0.0295
|
|
216 3 -0.3746 81.6846 51.5389 0.9721 0.0287
|
|
|
|
1 4 -0.0842 65.3190 4.2752 0.9248 0.0813
|
|
2 4 -0.3746 81.6745 51.5373 0.9721 0.0287
|
|
3 4 -1.1730 43.5950 85.6856 1.0860 -0.0792
|
|
4 4 -1.6810 23.3956 79.2027 0.8810 0.1351
|
|
5 4 -1.1730 43.5924 85.6893 1.0860 -0.0792
|
|
6 4 -0.3746 81.6771 51.5372 0.9721 0.0287
|
|
7 4 -0.3746 80.3118 53.3191 0.9815 0.0188
|
|
8 4 -1.0239 65.1437 29.9548 0.8931 0.1197
|
|
9 4 -1.7220 25.1151 114.3824 1.0575 -0.0543
|
|
10 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
11 4 -1.4636 44.0187 57.5559 0.9008 0.1101
|
|
12 4 -0.4858 47.4654 134.3909 1.9768 -0.4941
|
|
13 4 -1.1730 42.9916 85.5311 1.0869 -0.0799
|
|
14 4 -1.7220 26.9029 116.3108 1.0811 -0.0750
|
|
15 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
16 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
17 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
18 4 -1.4636 44.5525 56.7857 0.8940 0.1186
|
|
19 4 -1.6810 24.1302 77.8989 0.8850 0.1299
|
|
20 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
21 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
22 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
23 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
24 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
25 4 -1.1730 42.9891 85.5350 1.0869 -0.0799
|
|
26 4 -1.4636 44.5526 56.7855 0.8940 0.1186
|
|
27 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
28 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
29 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
30 4 -1.7220 26.9062 116.3161 1.0811 -0.0750
|
|
31 4 -0.3746 80.3149 53.3186 0.9815 0.0188
|
|
32 4 -0.4858 47.4655 134.3913 1.9768 -0.4941
|
|
33 4 -1.4636 44.0189 57.5565 0.9008 0.1101
|
|
34 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
35 4 -1.7220 25.1179 114.3878 1.0575 -0.0543
|
|
36 4 -1.0239 65.1493 29.9551 0.8931 0.1197
|
|
37 4 -0.3746 81.6745 51.5373 0.9721 0.0287
|
|
38 4 -1.0239 65.1438 29.9547 0.8931 0.1197
|
|
39 4 -1.7220 27.3048 116.6895 1.0781 -0.0725
|
|
40 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
41 4 -1.4636 45.1407 58.0713 0.8922 0.1208
|
|
42 4 -0.4858 49.1422 136.2842 2.0274 -0.5068
|
|
43 4 -1.0239 65.1437 29.9548 0.8931 0.1197
|
|
44 4 -0.3746 81.6737 51.5368 0.9721 0.0287
|
|
45 4 -0.4858 49.1418 136.2843 2.0274 -0.5068
|
|
46 4 -1.4636 45.1404 58.0712 0.8922 0.1208
|
|
47 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
48 4 -1.7220 27.3032 116.6821 1.0781 -0.0724
|
|
49 4 -1.7220 26.9029 116.3108 1.0811 -0.0750
|
|
50 4 -0.4858 47.4651 134.3910 1.9768 -0.4941
|
|
51 4 -1.7220 27.3044 116.6857 1.0781 -0.0724
|
|
52 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
53 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
54 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
55 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
56 4 -1.4636 44.5519 56.7857 0.8940 0.1186
|
|
57 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
58 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
59 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
60 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
61 4 -1.4636 44.5526 56.7855 0.8940 0.1186
|
|
62 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
63 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
64 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
65 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
66 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
67 4 -0.4858 47.4655 134.3913 1.9768 -0.4941
|
|
68 4 -1.7220 26.9015 116.3038 1.0811 -0.0750
|
|
69 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
70 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
71 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
72 4 -1.7220 27.3053 116.6865 1.0781 -0.0724
|
|
73 4 -1.1730 43.5950 85.6856 1.0860 -0.0792
|
|
74 4 -1.7220 27.3048 116.6895 1.0781 -0.0725
|
|
75 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
76 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
77 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
78 4 -1.4636 45.1411 58.0715 0.8922 0.1208
|
|
79 4 -1.7220 25.1151 114.3824 1.0575 -0.0543
|
|
80 4 -0.4858 49.1418 136.2843 2.0274 -0.5068
|
|
81 4 -1.7220 25.1143 114.3791 1.0574 -0.0543
|
|
82 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
83 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
84 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
85 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
86 4 -1.7220 27.3044 116.6857 1.0781 -0.0724
|
|
87 4 -1.1730 43.5973 85.6857 1.0860 -0.0792
|
|
88 4 -1.4636 45.1426 58.0715 0.8922 0.1208
|
|
89 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
90 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
91 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
92 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
93 4 -1.4636 44.0205 57.5558 0.9008 0.1101
|
|
94 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
95 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
96 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
97 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
98 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
99 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
100 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
101 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
102 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
103 4 -1.4636 44.0189 57.5565 0.9008 0.1101
|
|
104 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
105 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
106 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
107 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
108 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
109 4 -1.6810 23.3956 79.2027 0.8810 0.1351
|
|
110 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
111 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
112 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
113 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
114 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
115 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
116 4 -1.4636 45.1404 58.0712 0.8922 0.1208
|
|
117 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
118 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
119 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
120 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
121 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
122 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
123 4 -1.4636 45.1426 58.0715 0.8922 0.1208
|
|
124 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
125 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
126 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
127 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
128 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
129 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
130 4 -1.6810 23.4030 79.2112 0.8810 0.1351
|
|
131 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
132 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
133 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
134 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
135 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
136 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
137 4 -1.4636 45.1405 58.0715 0.8922 0.1208
|
|
138 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
139 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
140 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
141 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
142 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
143 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
144 4 -1.4636 45.1391 58.0718 0.8922 0.1208
|
|
145 4 -1.1730 43.5924 85.6893 1.0860 -0.0792
|
|
146 4 -1.4636 45.1407 58.0713 0.8922 0.1208
|
|
147 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
148 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
149 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
150 4 -1.7220 27.3078 116.6944 1.0781 -0.0725
|
|
151 4 -1.4636 44.0187 57.5559 0.9008 0.1101
|
|
152 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
153 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
154 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
155 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
156 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
157 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
158 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
159 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
160 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
161 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
162 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
163 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
164 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
165 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
166 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
167 4 -1.4636 44.0183 57.5566 0.9008 0.1101
|
|
168 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
169 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
170 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
171 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
172 4 -1.4636 45.1405 58.0715 0.8922 0.1208
|
|
173 4 -1.1730 43.5926 85.6990 1.0860 -0.0792
|
|
174 4 -1.7220 27.3094 116.6950 1.0781 -0.0725
|
|
175 4 -1.7220 25.1179 114.3878 1.0575 -0.0543
|
|
176 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
177 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
178 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
179 4 -1.7220 25.1192 114.3874 1.0574 -0.0543
|
|
180 4 -0.4858 49.1442 136.3155 2.0279 -0.5069
|
|
181 4 -0.3746 81.6771 51.5372 0.9721 0.0287
|
|
182 4 -0.4858 49.1422 136.2842 2.0274 -0.5068
|
|
183 4 -1.4636 45.1411 58.0715 0.8922 0.1208
|
|
184 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -1.7220 27.3078 116.6944 1.0781 -0.0725
|
|
186 4 -1.0239 65.1492 29.9552 0.8931 0.1197
|
|
187 4 -0.4858 47.4654 134.3909 1.9768 -0.4941
|
|
188 4 -1.7220 27.3032 116.6821 1.0781 -0.0724
|
|
189 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
190 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
191 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
192 4 -1.7220 26.9033 116.3077 1.0811 -0.0750
|
|
193 4 -1.4636 44.5525 56.7857 0.8940 0.1186
|
|
194 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
195 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
196 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
197 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
198 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
199 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
200 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
201 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
202 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
203 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
204 4 -1.4636 44.5510 56.7856 0.8940 0.1186
|
|
205 4 -1.7220 26.9062 116.3161 1.0811 -0.0750
|
|
206 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
207 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
208 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
209 4 -1.7220 27.3094 116.6950 1.0781 -0.0725
|
|
210 4 -0.4858 47.4673 134.4230 1.9773 -0.4943
|
|
211 4 -1.0239 65.1493 29.9551 0.8931 0.1197
|
|
212 4 -1.7220 27.3053 116.6865 1.0781 -0.0724
|
|
213 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -1.4636 45.1391 58.0718 0.8922 0.1208
|
|
215 4 -0.4858 49.1442 136.3155 2.0279 -0.5069
|
|
216 4 -0.3746 81.6846 51.5389 0.9721 0.0287
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 14Mb
|
|
VmPeak = 292Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 1.55s CPU 1.71s WALL ( 1 calls)
|
|
ep-interp : 1.49s CPU 1.66s WALL ( 216 calls)
|
|
|
|
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
|
|
HamW2B : 0.43s CPU 0.48s WALL ( 93744 calls)
|
|
ephW2Bp : 0.10s CPU 0.12s WALL ( 216 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 1.55s CPU 1.72s 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)
|