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`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
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`-/+++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
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shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
Comput. Phys. Commun. 209, 116 (2016)
Program EPW v.5.2.0 starts on 27Jan2020 at 10:12:24
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
Reading xml data from directory:
./si.save/
IMPORTANT: XC functional enforced from input :
Exchange-correlation= PBE
( 1 4 3 4 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 859 859 265 16889 16889 2837
Reading collected, re-writing distributed wavefunctions
--
bravais-lattice index = 2
lattice parameter (a_0) = 10.2620 a.u.
unit-cell volume = 270.1693 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 1
kinetic-energy cut-off = 60.0000 Ry
charge density cut-off = 240.0000 Ry
Exchange-correlation= PBE
( 1 4 3 4 0 0 0)
celldm(1)= 10.26200 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) = ( -0.5000 0.0000 0.5000 )
a(2) = ( 0.0000 0.5000 0.5000 )
a(3) = ( -0.5000 0.5000 0.0000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( -1.0000 -1.0000 1.0000 )
b(2) = ( 1.0000 1.0000 1.0000 )
b(3) = ( -1.0000 1.0000 -1.0000 )
Atoms inside the unit cell:
Cartesian axes
site n. atom mass positions (a_0 units)
1 Si 28.0855 tau( 1) = ( 0.00000 0.00000 0.00000 )
2 Si 28.0855 tau( 2) = ( 0.25000 0.25000 0.25000 )
49 Sym.Ops. (with q -> -q+G )
G cutoff = 640.1998 ( 16889 G-vectors) FFT grid: ( 36, 36, 36)
number of k points= 27
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741
k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741
k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741
k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741
k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741
k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741
k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741
k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741
k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741
k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741
k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741
k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741
k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741
k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741
k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741
k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741
k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741
k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741
k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741
k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741
k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741
k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741
k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741
k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741
k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741
k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741
k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741
PseudoPot. # 1 for Si read from file:
../../pseudo/Si_r.upf
MD5 check sum: c84abb4b0aac9c93a8e9f74896432a0a
Pseudo is Norm-conserving + core correction, Zval = 4.0
Generated using ONCVPSP code by D. R. Hamann
Using radial grid of 1528 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 2
l(6) = 2
EPW : 0.30s CPU 0.32s WALL
EPW : 0.97s CPU 1.00s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
Wannierization on 3 x 3 x 3 electronic grid
-------------------------------------------------------------------
Spin CASE ( default = unpolarized )
Initializing Wannier90
Initial Wannier projections
( 0.00000 0.00000 0.00000) : l = -3 mr = 1
( 0.00000 0.00000 0.00000) : l = -3 mr = 2
( 0.00000 0.00000 0.00000) : l = -3 mr = 3
( 0.00000 0.00000 0.00000) : l = -3 mr = 4
( -0.25000 0.75000 -0.25000) : l = -3 mr = 1
( -0.25000 0.75000 -0.25000) : l = -3 mr = 2
( -0.25000 0.75000 -0.25000) : l = -3 mr = 3
( -0.25000 0.75000 -0.25000) : l = -3 mr = 4
- Number of bands is ( 12)
- Number of total bands is ( 12)
- Number of excluded bands is ( 0)
- Number of wannier functions is ( 8)
- All guiding functions are given
Reading data about k-point neighbours
- All neighbours are found
AMN
k points = 27 in 1 pools
1 of 27 on ionode
2 of 27 on ionode
3 of 27 on ionode
4 of 27 on ionode
5 of 27 on ionode
6 of 27 on ionode
7 of 27 on ionode
8 of 27 on ionode
9 of 27 on ionode
10 of 27 on ionode
11 of 27 on ionode
12 of 27 on ionode
13 of 27 on ionode
14 of 27 on ionode
15 of 27 on ionode
16 of 27 on ionode
17 of 27 on ionode
18 of 27 on ionode
19 of 27 on ionode
20 of 27 on ionode
21 of 27 on ionode
22 of 27 on ionode
23 of 27 on ionode
24 of 27 on ionode
25 of 27 on ionode
26 of 27 on ionode
27 of 27 on ionode
AMN calculated
MMN
k points = 27 in 1 pools
1 of 27 on ionode
2 of 27 on ionode
3 of 27 on ionode
4 of 27 on ionode
5 of 27 on ionode
6 of 27 on ionode
7 of 27 on ionode
8 of 27 on ionode
9 of 27 on ionode
10 of 27 on ionode
11 of 27 on ionode
12 of 27 on ionode
13 of 27 on ionode
14 of 27 on ionode
15 of 27 on ionode
16 of 27 on ionode
17 of 27 on ionode
18 of 27 on ionode
19 of 27 on ionode
20 of 27 on ionode
21 of 27 on ionode
22 of 27 on ionode
23 of 27 on ionode
24 of 27 on ionode
25 of 27 on ionode
26 of 27 on ionode
27 of 27 on ionode
MMN calculated
Running Wannier90
Wannier Function centers (cartesian, alat) and spreads (ang):
( 0.04365 0.04365 0.04365) : 1.93080
( 0.04365 -0.04365 -0.04365) : 1.93080
( -0.04365 0.04365 -0.04365) : 1.93080
( -0.04365 -0.04365 0.04365) : 1.93080
( 0.33724 0.33724 0.33724) : 1.59502
( 0.33724 0.16276 0.16276) : 1.59502
( 0.16276 0.33724 0.16276) : 1.59502
( 0.16276 0.16276 0.33724) : 1.59502
-------------------------------------------------------------------
WANNIER : 13.81s CPU 13.85s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
Calculating kgmap
Progress kgmap: ########################################
kmaps : 3.94s CPU 3.96s WALL ( 1 calls)
Symmetries of Bravais lattice: 48
Symmetries of crystal: 48
===================================================================
irreducible q point # 1
===================================================================
Symmetries of small group of q: 48
in addition sym. q -> -q+G:
Number of q in the star = 1
List of q in the star:
1 0.000000000 0.000000000 0.000000000
Imposing acoustic sum rule on the dynamical matrix
Read dielectric tensor and effective charges
q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )
===================================================================
irreducible q point # 2
===================================================================
Symmetries of small group of q: 6
Number of q in the star = 8
List of q in the star:
1 -0.333333333 0.333333333 -0.333333333
2 0.333333333 0.333333333 -0.333333333
3 0.333333333 0.333333333 0.333333333
4 -0.333333333 0.333333333 0.333333333
5 0.333333333 -0.333333333 0.333333333
6 -0.333333333 -0.333333333 -0.333333333
7 0.333333333 -0.333333333 -0.333333333
8 -0.333333333 -0.333333333 0.333333333
q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 )
q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 )
q( 4 ) = ( 0.3333333 0.3333333 0.3333333 )
q( 5 ) = ( -0.3333333 0.3333333 0.3333333 )
q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 )
q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 )
q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 )
q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 )
===================================================================
irreducible q point # 3
===================================================================
Symmetries of small group of q: 8
Number of q in the star = 6
List of q in the star:
1 0.000000000 0.666666667 0.000000000
2 -0.666666667 0.000000000 0.000000000
3 0.000000000 -0.666666667 0.000000000
4 0.000000000 0.000000000 0.666666667
5 0.000000000 0.000000000 -0.666666667
6 0.666666667 0.000000000 0.000000000
q( 10 ) = ( 0.0000000 0.6666667 0.0000000 )
q( 11 ) = ( -0.6666667 0.0000000 0.0000000 )
q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 )
q( 13 ) = ( 0.0000000 0.0000000 0.6666667 )
q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 )
q( 15 ) = ( 0.6666667 0.0000000 0.0000000 )
===================================================================
irreducible q point # 4
===================================================================
Symmetries of small group of q: 4
Number of q in the star = 12
List of q in the star:
1 0.666666667 0.000000000 0.666666667
2 0.666666667 0.000000000 -0.666666667
3 -0.666666667 0.000000000 -0.666666667
4 -0.666666667 0.000000000 0.666666667
5 0.000000000 -0.666666667 0.666666667
6 -0.666666667 0.666666667 0.000000000
7 -0.666666667 -0.666666667 0.000000000
8 0.666666667 0.666666667 0.000000000
9 0.666666667 -0.666666667 0.000000000
10 0.000000000 0.666666667 0.666666667
11 0.000000000 0.666666667 -0.666666667
12 0.000000000 -0.666666667 -0.666666667
q( 16 ) = ( 0.6666667 0.0000000 0.6666667 )
q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 )
q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 )
q( 19 ) = ( -0.6666667 0.0000000 0.6666667 )
q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 )
q( 21 ) = ( -0.6666667 0.6666667 0.0000000 )
q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 )
q( 23 ) = ( 0.6666667 0.6666667 0.0000000 )
q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 )
q( 25 ) = ( 0.0000000 0.6666667 0.6666667 )
q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 )
q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 )
Writing epmatq on .epb files
The .epb files have been correctly written
Band disentanglement is used: nbndsub = 8
Use zone-centred Wigner-Seitz cells
Number of WS vectors for electrons 43
Number of WS vectors for phonons 43
Number of WS vectors for electron-phonon 43
Maximum number of cores for efficient parallelization 258
Results may improve by using use_ws == .TRUE.
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
===================================================================
Memory usage: VmHWM = 81Mb
VmPeak = 399Mb
===================================================================
Using q-mesh file: ./LGX.txt
WARNING: q-point weigths do not add up to 1 [loadqmesh_serial]
Size of q point mesh for interpolation: 98
Using k-mesh file: ./LGX.txt
WARNING: k-point weigths do not add up to 1 [loadkmesh_para]
Size of k point mesh for interpolation: 196
Max number of k points per pool: 196
Fermi energy coarse grid = 6.239983 eV
Fermi energy is calculated from the fine k-mesh: Ef = 7.004141 eV
Warning: check if difference with Fermi level fine grid makes sense
===================================================================
ibndmin = 2 ebndmin = 0.427
ibndmax = 6 ebndmax = 0.603
Number of ep-matrix elements per pool : 14700 ~= 114.84 Kb (@ 8 bytes/ DP)
We only need to compute 98 q-points
===================================================================
Electron (Imaginary) Self-Energy in the Migdal Approximation
===================================================================
Fermi Surface thickness = 1.200000 eV
Golden Rule strictly enforced with T = 0.000086 eV
Gaussian Broadening: 0.010000 eV, ngauss= 1
Average over degenerate eigenstates is performed
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.5000000 0.5000000 0.5000000
-------------------------------------------------------------------
E( 2 )= -8.0827 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.7998 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7719 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3396 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5978 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 2 coord.: 0.4900000 0.4900000 0.4900000
-------------------------------------------------------------------
E( 2 )= -8.0724 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.7999 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7721 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5963 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 3 coord.: 0.4800000 0.4800000 0.4800000
-------------------------------------------------------------------
E( 2 )= -8.0420 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8002 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7726 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3302 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5919 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 4 coord.: 0.4700000 0.4700000 0.4700000
-------------------------------------------------------------------
E( 2 )= -7.9923 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7734 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3186 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5845 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 5 coord.: 0.4600000 0.4600000 0.4600000
-------------------------------------------------------------------
E( 2 )= -7.9248 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8012 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7744 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3029 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5742 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 6 coord.: 0.4500000 0.4500000 0.4500000
-------------------------------------------------------------------
E( 2 )= -7.8412 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8018 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7757 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2834 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5610 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 7 coord.: 0.4400000 0.4400000 0.4400000
-------------------------------------------------------------------
E( 2 )= -7.7432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8023 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7770 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2606 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5451 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 8 coord.: 0.4300000 0.4300000 0.4300000
-------------------------------------------------------------------
E( 2 )= -7.6324 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7784 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2351 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5265 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 9 coord.: 0.4200000 0.4200000 0.4200000
-------------------------------------------------------------------
E( 2 )= -7.5100 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.8027 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.7797 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2075 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 3.5054 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 10 coord.: 0.4100000 0.4100000 0.4100000
-------------------------------------------------------------------
E( 2 )= -7.3774 eV Re[Sigma]= -6.330349 meV Im[Sigma]= 0.076273 meV Z= 0.889696 lam= 0.123980
E( 3 )= -1.8023 eV Re[Sigma]= 25.779307 meV Im[Sigma]= 238.839331 meV Z= -2.170105 lam= -1.460807
E( 4 )= -1.7808 eV Re[Sigma]= 79.841342 meV Im[Sigma]= 230.087322 meV Z= 0.989745 lam= 0.010361
E( 5 )= 1.1785 eV Re[Sigma]= 46.678606 meV Im[Sigma]= 31.803815 meV Z= 0.749825 lam= 0.333645
E( 6 )= 3.4818 eV Re[Sigma]= 14.435021 meV Im[Sigma]= 33.980282 meV Z= 0.634430 lam= 0.576219
-------------------------------------------------------------------
ik = 11 coord.: 0.4000000 0.4000000 0.4000000
-------------------------------------------------------------------
E( 2 )= -7.2356 eV Re[Sigma]= -17.079665 meV Im[Sigma]= 0.039441 meV Z= 0.793969 lam= 0.259495
E( 3 )= -1.8013 eV Re[Sigma]= 47.353699 meV Im[Sigma]= 243.663838 meV Z= -2.480132 lam= -1.403204
E( 4 )= -1.7816 eV Re[Sigma]= 97.720417 meV Im[Sigma]= 239.932222 meV Z= 1.772353 lam= -0.435778
E( 5 )= 1.1489 eV Re[Sigma]= 26.692281 meV Im[Sigma]= 38.067100 meV Z= 0.646855 lam= 0.545941
E( 6 )= 3.4558 eV Re[Sigma]= 4.924607 meV Im[Sigma]= 58.657125 meV Z= -2.350438 lam= -1.425453
-------------------------------------------------------------------
ik = 12 coord.: 0.3900000 0.3900000 0.3900000
-------------------------------------------------------------------
E( 2 )= -7.0853 eV Re[Sigma]= 23.726297 meV Im[Sigma]= 0.018267 meV Z= 0.723312 lam= 0.382529
E( 3 )= -1.7996 eV Re[Sigma]= 67.281194 meV Im[Sigma]= 248.268654 meV Z= -2.294598 lam= -1.435806
E( 4 )= -1.7819 eV Re[Sigma]= 113.330946 meV Im[Sigma]= 247.926703 meV Z= 3.134970 lam= -0.681018
E( 5 )= 1.1193 eV Re[Sigma]= 27.824505 meV Im[Sigma]= 83.290911 meV Z= -1.953215 lam= -1.511976
E( 6 )= 3.4276 eV Re[Sigma]= 7.173375 meV Im[Sigma]= 69.331444 meV Z= -0.581603 lam= -2.719387
-------------------------------------------------------------------
ik = 13 coord.: 0.3800000 0.3800000 0.3800000
-------------------------------------------------------------------
E( 2 )= -6.9274 eV Re[Sigma]= 9.251594 meV Im[Sigma]= 0.007414 meV Z= 0.869004 lam= 0.150743
E( 3 )= -1.7969 eV Re[Sigma]= 85.835846 meV Im[Sigma]= 249.823851 meV Z= -36.143538 lam= -1.027667
E( 4 )= -1.7815 eV Re[Sigma]= 128.076236 meV Im[Sigma]= 253.037729 meV Z= 2.220219 lam= -0.549594
E( 5 )= 1.0906 eV Re[Sigma]= 33.124483 meV Im[Sigma]= 82.682523 meV Z= 5.508771 lam= -0.818471
E( 6 )= 3.3973 eV Re[Sigma]= 12.032987 meV Im[Sigma]= 57.276099 meV Z= -961.799217 lam= -1.001040
-------------------------------------------------------------------
ik = 14 coord.: 0.3600000 0.3600000 0.3600000
-------------------------------------------------------------------
E( 2 )= -6.5907 eV Re[Sigma]= 5.277986 meV Im[Sigma]= 0.000733 meV Z= 0.889448 lam= 0.124293
E( 3 )= -1.7882 eV Re[Sigma]= 125.265923 meV Im[Sigma]= 242.998290 meV Z= -2.539391 lam= -1.393795
E( 4 )= -1.7785 eV Re[Sigma]= 166.827497 meV Im[Sigma]= 246.015169 meV Z= 0.570300 lam= 0.753464
E( 5 )= 1.0386 eV Re[Sigma]= 30.978671 meV Im[Sigma]= 107.649433 meV Z= 0.384470 lam= 1.600980
E( 6 )= 3.3309 eV Re[Sigma]= -3.976784 meV Im[Sigma]= 17.814739 meV Z= 0.403325 lam= 1.479393
-------------------------------------------------------------------
ik = 15 coord.: 0.3500000 0.3500000 0.3500000
-------------------------------------------------------------------
E( 2 )= -6.4130 eV Re[Sigma]= 4.339913 meV Im[Sigma]= 0.000193 meV Z= 0.892913 lam= 0.119930
E( 3 )= -1.7818 eV Re[Sigma]= 155.984297 meV Im[Sigma]= 207.615708 meV Z= 0.872185 lam= 0.146545
E( 4 )= -1.7754 eV Re[Sigma]= 185.915150 meV Im[Sigma]= 188.659078 meV Z= 0.276367 lam= 2.618376
E( 5 )= 1.0166 eV Re[Sigma]= -25.683987 meV Im[Sigma]= 196.020663 meV Z= -0.569388 lam= -2.756272
E( 6 )= 3.2950 eV Re[Sigma]= -16.828262 meV Im[Sigma]= 5.740008 meV Z= 0.389884 lam= 1.564867
-------------------------------------------------------------------
ik = 16 coord.: 0.3400000 0.3400000 0.3400000
-------------------------------------------------------------------
E( 2 )= -6.2296 eV Re[Sigma]= 3.378720 meV Im[Sigma]= 0.000056 meV Z= 0.894896 lam= 0.117448
E( 3 )= -1.7738 eV Re[Sigma]= 150.088782 meV Im[Sigma]= 162.636214 meV Z= 0.547750 lam= 0.825650
E( 4 )= -1.7711 eV Re[Sigma]= 171.519164 meV Im[Sigma]= 136.798854 meV Z= 0.238961 lam= 3.184777
E( 5 )= 0.9982 eV Re[Sigma]= -123.715466 meV Im[Sigma]= 75.083921 meV Z= 0.336351 lam= 1.973084
E( 6 )= 3.2576 eV Re[Sigma]= -20.403323 meV Im[Sigma]= 1.882459 meV Z= 0.406905 lam= 1.457576
-------------------------------------------------------------------
ik = 17 coord.: 0.3300000 0.3300000 0.3300000
-------------------------------------------------------------------
E( 2 )= -6.0410 eV Re[Sigma]= 2.525307 meV Im[Sigma]= 0.000020 meV Z= 0.895171 lam= 0.117105
E( 3 )= -1.7655 eV Re[Sigma]= 138.277933 meV Im[Sigma]= 194.439933 meV Z= -37.884708 lam= -1.026396
E( 4 )= -1.7641 eV Re[Sigma]= 127.848252 meV Im[Sigma]= 125.592541 meV Z= 0.291273 lam= 2.433206
E( 5 )= 0.9837 eV Re[Sigma]= -90.115806 meV Im[Sigma]= 4.236871 meV Z= 0.277210 lam= 2.607373
E( 6 )= 3.2172 eV Re[Sigma]= -29.701946 meV Im[Sigma]= 36.686936 meV Z= 0.518562 lam= 0.928411
-------------------------------------------------------------------
ik = 18 coord.: 0.3200000 0.3200000 0.3200000
-------------------------------------------------------------------
E( 2 )= -5.8476 eV Re[Sigma]= 1.640731 meV Im[Sigma]= 0.000118 meV Z= 0.900092 lam= 0.110998
E( 3 )= -1.7583 eV Re[Sigma]= 149.467041 meV Im[Sigma]= 181.719034 meV Z= 0.272661 lam= 2.667560
E( 4 )= -1.7525 eV Re[Sigma]= 114.283707 meV Im[Sigma]= 161.973728 meV Z= 0.423121 lam= 1.363388
E( 5 )= 0.9737 eV Re[Sigma]= -76.825521 meV Im[Sigma]= 4.353603 meV Z= 0.335900 lam= 1.977073
E( 6 )= 3.1725 eV Re[Sigma]= -7.838251 meV Im[Sigma]= 27.626562 meV Z= 0.742257 lam= 0.347243
-------------------------------------------------------------------
ik = 19 coord.: 0.3100000 0.3100000 0.3100000
-------------------------------------------------------------------
E( 2 )= -5.6497 eV Re[Sigma]= -3.613295 meV Im[Sigma]= 0.000538 meV Z= 0.888833 lam= 0.125071
E( 3 )= -1.7493 eV Re[Sigma]= 160.331056 meV Im[Sigma]= 182.648388 meV Z= 0.662791 lam= 0.508772
E( 4 )= -1.7389 eV Re[Sigma]= 129.809219 meV Im[Sigma]= 152.104951 meV Z= 0.369460 lam= 1.706656
E( 5 )= 0.9686 eV Re[Sigma]= -75.391313 meV Im[Sigma]= 8.327244 meV Z= 0.383952 lam= 1.604495
E( 6 )= 3.1261 eV Re[Sigma]= -25.031340 meV Im[Sigma]= 54.725495 meV Z= 0.897999 lam= 0.113587
-------------------------------------------------------------------
ik = 20 coord.: 0.3000000 0.3000000 0.3000000
-------------------------------------------------------------------
E( 2 )= -5.4478 eV Re[Sigma]= -11.615748 meV Im[Sigma]= 0.001496 meV Z= 0.848160 lam= 0.179023
E( 3 )= -1.7386 eV Re[Sigma]= 161.111101 meV Im[Sigma]= 172.896183 meV Z= 1.154368 lam= -0.133725
E( 4 )= -1.7231 eV Re[Sigma]= 135.899980 meV Im[Sigma]= 150.848082 meV Z= 0.945752 lam= 0.057359
E( 5 )= 0.9685 eV Re[Sigma]= -79.514697 meV Im[Sigma]= 16.006383 meV Z= 0.491620 lam= 1.034091
E( 6 )= 3.0783 eV Re[Sigma]= -28.093615 meV Im[Sigma]= 64.659592 meV Z= 2.077890 lam= -0.518743
-------------------------------------------------------------------
ik = 21 coord.: 0.2900000 0.2900000 0.2900000
-------------------------------------------------------------------
E( 2 )= -5.2424 eV Re[Sigma]= 9.462508 meV Im[Sigma]= 85.360660 meV Z= -6.167767 lam= -1.162133
E( 3 )= -1.7258 eV Re[Sigma]= 158.274804 meV Im[Sigma]= 152.511623 meV Z= 0.332700 lam= 2.005708
E( 4 )= -1.7052 eV Re[Sigma]= 136.670283 meV Im[Sigma]= 145.840045 meV Z= 2.572474 lam= -0.611269
E( 5 )= 0.9737 eV Re[Sigma]= -90.680872 meV Im[Sigma]= 20.284690 meV Z= 0.385658 lam= 1.592969
E( 6 )= 3.0291 eV Re[Sigma]= -28.592611 meV Im[Sigma]= 73.059552 meV Z= -4.546423 lam= -1.219953
-------------------------------------------------------------------
ik = 22 coord.: 0.2800000 0.2800000 0.2800000
-------------------------------------------------------------------
E( 2 )= -5.0339 eV Re[Sigma]= 28.732014 meV Im[Sigma]= 30.043469 meV Z= 1.057266 lam= -0.054164
E( 3 )= -1.7109 eV Re[Sigma]= 179.462927 meV Im[Sigma]= 129.314108 meV Z= 0.312904 lam= 2.195866
E( 4 )= -1.6849 eV Re[Sigma]= 142.680099 meV Im[Sigma]= 144.918952 meV Z= -1.300374 lam= -1.769009
E( 5 )= 0.9843 eV Re[Sigma]= -108.756251 meV Im[Sigma]= 34.762384 meV Z= 0.356517 lam= 1.804916
E( 6 )= 2.9787 eV Re[Sigma]= -28.350287 meV Im[Sigma]= 78.678236 meV Z= -1.358036 lam= -1.736358
-------------------------------------------------------------------
ik = 23 coord.: 0.2700000 0.2700000 0.2700000
-------------------------------------------------------------------
E( 2 )= -4.8228 eV Re[Sigma]= 17.631322 meV Im[Sigma]= 0.549723 meV Z= 0.579868 lam= 0.724530
E( 3 )= -1.6937 eV Re[Sigma]= 197.541301 meV Im[Sigma]= 151.546245 meV Z= 2.539762 lam= -0.606262
E( 4 )= -1.6624 eV Re[Sigma]= 155.856692 meV Im[Sigma]= 135.592798 meV Z= 12.690025 lam= -0.921198
E( 5 )= 1.0003 eV Re[Sigma]= -153.577989 meV Im[Sigma]= 60.937216 meV Z= 0.201997 lam= 3.950581
E( 6 )= 2.9272 eV Re[Sigma]= -20.337941 meV Im[Sigma]= 82.707316 meV Z= -1.431837 lam= -1.698404
-------------------------------------------------------------------
ik = 24 coord.: 0.2600000 0.2600000 0.2600000
-------------------------------------------------------------------
E( 2 )= -4.6096 eV Re[Sigma]= 21.756217 meV Im[Sigma]= 0.012594 meV Z= 0.867473 lam= 0.152773
E( 3 )= -1.6742 eV Re[Sigma]= 223.057015 meV Im[Sigma]= 136.806790 meV Z= -0.510156 lam= -2.960183
E( 4 )= -1.6374 eV Re[Sigma]= 176.781435 meV Im[Sigma]= 80.904651 meV Z= 0.820301 lam= 0.219064
E( 5 )= 1.0215 eV Re[Sigma]= -60.569210 meV Im[Sigma]= 347.264507 meV Z= -0.149979 lam= -7.667612
E( 6 )= 2.8748 eV Re[Sigma]= -33.249433 meV Im[Sigma]= 80.838127 meV Z= -1.053090 lam= -1.949586
-------------------------------------------------------------------
ik = 25 coord.: 0.2500000 0.2500000 0.2500000
-------------------------------------------------------------------
E( 2 )= -4.3950 eV Re[Sigma]= 17.567746 meV Im[Sigma]= 0.016834 meV Z= 0.899831 lam= 0.111320
E( 3 )= -1.6522 eV Re[Sigma]= 201.338611 meV Im[Sigma]= 4.965064 meV Z= 0.316337 lam= 2.161181
E( 4 )= -1.6101 eV Re[Sigma]= 153.690825 meV Im[Sigma]= 0.320036 meV Z= 0.433424 lam= 1.307210
E( 5 )= 1.0478 eV Re[Sigma]= 60.920017 meV Im[Sigma]= 226.731588 meV Z= -0.567969 lam= -2.760659
E( 6 )= 2.8216 eV Re[Sigma]= -34.540557 meV Im[Sigma]= 28.266995 meV Z= 2.517536 lam= -0.602786
-------------------------------------------------------------------
ik = 26 coord.: 0.2400000 0.2400000 0.2400000
-------------------------------------------------------------------
E( 2 )= -4.1796 eV Re[Sigma]= 10.185736 meV Im[Sigma]= 0.000000 meV Z= 0.972247 lam= 0.028545
E( 3 )= -1.6276 eV Re[Sigma]= 156.542596 meV Im[Sigma]= 0.112724 meV Z= 0.426890 lam= 1.342524
E( 4 )= -1.5804 eV Re[Sigma]= 119.803889 meV Im[Sigma]= 0.000231 meV Z= 0.566471 lam= 0.765314
E( 5 )= 1.0790 eV Re[Sigma]= 114.950145 meV Im[Sigma]= 129.923811 meV Z= 35.083508 lam= -0.971497
E( 6 )= 2.7676 eV Re[Sigma]= -19.513119 meV Im[Sigma]= 26.631917 meV Z= 6.935011 lam= -0.855804
-------------------------------------------------------------------
ik = 27 coord.: 0.2300000 0.2300000 0.2300000
-------------------------------------------------------------------
E( 2 )= -3.9639 eV Re[Sigma]= 7.677165 meV Im[Sigma]= 0.000000 meV Z= 0.975268 lam= 0.025359
E( 3 )= -1.6005 eV Re[Sigma]= 132.053287 meV Im[Sigma]= 0.036672 meV Z= 0.489098 lam= 1.044581
E( 4 )= -1.5485 eV Re[Sigma]= 100.568304 meV Im[Sigma]= 0.000087 meV Z= 0.634332 lam= 0.576463
E( 5 )= 1.1146 eV Re[Sigma]= 87.014581 meV Im[Sigma]= 70.703785 meV Z= 0.479924 lam= 1.083663
E( 6 )= 2.7132 eV Re[Sigma]= -13.759806 meV Im[Sigma]= 26.088216 meV Z= 9.853029 lam= -0.898508
-------------------------------------------------------------------
ik = 28 coord.: 0.2200000 0.2200000 0.2200000
-------------------------------------------------------------------
E( 2 )= -3.7488 eV Re[Sigma]= 5.864542 meV Im[Sigma]= 0.000000 meV Z= 0.974117 lam= 0.026570
E( 3 )= -1.5707 eV Re[Sigma]= 115.755849 meV Im[Sigma]= 0.023075 meV Z= 0.524304 lam= 0.907290
E( 4 )= -1.5143 eV Re[Sigma]= 87.242572 meV Im[Sigma]= 0.000038 meV Z= 0.678888 lam= 0.472997
E( 5 )= 1.1543 eV Re[Sigma]= 74.966696 meV Im[Sigma]= 82.061829 meV Z= 1.764173 lam= -0.433162
E( 6 )= 2.6584 eV Re[Sigma]= -10.030899 meV Im[Sigma]= 25.546411 meV Z= 11.816458 lam= -0.915372
-------------------------------------------------------------------
ik = 29 coord.: 0.2100000 0.2100000 0.2100000
-------------------------------------------------------------------
E( 2 )= -3.5349 eV Re[Sigma]= 1.953708 meV Im[Sigma]= 0.000000 meV Z= 0.949971 lam= 0.052664
E( 3 )= -1.5383 eV Re[Sigma]= 105.076420 meV Im[Sigma]= 0.027206 meV Z= 0.545982 lam= 0.831563
E( 4 )= -1.4780 eV Re[Sigma]= 78.303926 meV Im[Sigma]= 0.000018 meV Z= 0.710681 lam= 0.407102
E( 5 )= 1.1976 eV Re[Sigma]= 83.392921 meV Im[Sigma]= 72.247771 meV Z= 0.894966 lam= 0.117361
E( 6 )= 2.6033 eV Re[Sigma]= -4.708947 meV Im[Sigma]= 0.824015 meV Z= 0.791662 lam= 0.263165
-------------------------------------------------------------------
ik = 30 coord.: 0.2000000 0.2000000 0.2000000
-------------------------------------------------------------------
E( 2 )= -3.3231 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.5033 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.4398 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2439 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.5481 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 31 coord.: 0.1900000 0.1900000 0.1900000
-------------------------------------------------------------------
E( 2 )= -3.1140 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.4659 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.3998 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2927 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.4930 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 32 coord.: 0.1800000 0.1800000 0.1800000
-------------------------------------------------------------------
E( 2 )= -2.9086 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.4261 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.3583 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3433 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.4382 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 33 coord.: 0.1700000 0.1700000 0.1700000
-------------------------------------------------------------------
E( 2 )= -2.7078 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.3841 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.3155 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.3950 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.3838 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 34 coord.: 0.1600000 0.1600000 0.1600000
-------------------------------------------------------------------
E( 2 )= -2.5123 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.3401 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.2716 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.4471 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.3300 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 35 coord.: 0.1500000 0.1500000 0.1500000
-------------------------------------------------------------------
E( 2 )= -2.3230 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.2945 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.2270 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.4988 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.2770 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 36 coord.: 0.1400000 0.1400000 0.1400000
-------------------------------------------------------------------
E( 2 )= -2.1408 eV Re[Sigma]= -6.869933 meV Im[Sigma]= 0.000000 meV Z= 0.963375 lam= 0.038018
E( 3 )= -1.2476 eV Re[Sigma]= 30.006538 meV Im[Sigma]= 0.000000 meV Z= 0.918854 lam= 0.088312
E( 4 )= -1.1820 eV Re[Sigma]= 26.521789 meV Im[Sigma]= 0.000000 meV Z= 0.933906 lam= 0.070771
E( 5 )= 1.5492 eV Re[Sigma]= 22.229001 meV Im[Sigma]= 0.000000 meV Z= 0.949666 lam= 0.053002
E( 6 )= 2.2251 eV Re[Sigma]= -3.407108 meV Im[Sigma]= 0.000000 meV Z= 0.956879 lam= 0.045064
-------------------------------------------------------------------
ik = 37 coord.: 0.1300000 0.1300000 0.1300000
-------------------------------------------------------------------
E( 2 )= -1.9666 eV Re[Sigma]= -16.694667 meV Im[Sigma]= 0.000000 meV Z= 0.853703 lam= 0.171368
E( 3 )= -1.1996 eV Re[Sigma]= 41.929463 meV Im[Sigma]= 0.000670 meV Z= 0.718008 lam= 0.392743
E( 4 )= -1.1371 eV Re[Sigma]= 32.082221 meV Im[Sigma]= 0.000007 meV Z= 0.864320 lam= 0.156979
E( 5 )= 1.5975 eV Re[Sigma]= 13.270193 meV Im[Sigma]= 1.465976 meV Z= 0.809267 lam= 0.235686
E( 6 )= 2.1746 eV Re[Sigma]= -9.905260 meV Im[Sigma]= 1.069322 meV Z= 0.945839 lam= 0.057262
-------------------------------------------------------------------
ik = 38 coord.: 0.1200000 0.1200000 0.1200000
-------------------------------------------------------------------
E( 2 )= -1.8013 eV Re[Sigma]= 11.645846 meV Im[Sigma]= 48.528306 meV Z= 1.657350 lam= -0.396627
E( 3 )= -1.1512 eV Re[Sigma]= 46.046914 meV Im[Sigma]= 0.023505 meV Z= 0.686309 lam= 0.457070
E( 4 )= -1.0925 eV Re[Sigma]= 35.051037 meV Im[Sigma]= 0.000012 meV Z= 0.830474 lam= 0.204131
E( 5 )= 1.6428 eV Re[Sigma]= 10.102017 meV Im[Sigma]= 0.774675 meV Z= 0.690065 lam= 0.449139
E( 6 )= 2.1256 eV Re[Sigma]= -23.805697 meV Im[Sigma]= 1.595598 meV Z= 0.803740 lam= 0.244184
-------------------------------------------------------------------
ik = 39 coord.: 0.1100000 0.1100000 0.1100000
-------------------------------------------------------------------
E( 2 )= -1.6456 eV Re[Sigma]= 18.555473 meV Im[Sigma]= 28.500153 meV Z= 1.824859 lam= -0.452012
E( 3 )= -1.1028 eV Re[Sigma]= 48.564535 meV Im[Sigma]= 0.020338 meV Z= 0.681876 lam= 0.466542
E( 4 )= -1.0488 eV Re[Sigma]= 38.275028 meV Im[Sigma]= 0.000027 meV Z= 0.808176 lam= 0.237354
E( 5 )= 1.6839 eV Re[Sigma]= 2.767594 meV Im[Sigma]= 0.331423 meV Z= 0.614595 lam= 0.627088
E( 6 )= 2.0785 eV Re[Sigma]= -99.238722 meV Im[Sigma]= 92.664363 meV Z= 2.515298 lam= -0.602433
-------------------------------------------------------------------
ik = 40 coord.: 0.1000000 0.1000000 0.1000000
-------------------------------------------------------------------
E( 2 )= -1.5003 eV Re[Sigma]= 21.820727 meV Im[Sigma]= 0.191697 meV Z= 0.767924 lam= 0.302213
E( 3 )= -1.0550 eV Re[Sigma]= 50.826242 meV Im[Sigma]= 0.042811 meV Z= 0.683136 lam= 0.463838
E( 4 )= -1.0064 eV Re[Sigma]= 41.939135 meV Im[Sigma]= 0.000072 meV Z= 0.789250 lam= 0.267026
E( 5 )= 1.7201 eV Re[Sigma]= -15.153650 meV Im[Sigma]= 3.318231 meV Z= 0.549355 lam= 0.820318
E( 6 )= 2.0336 eV Re[Sigma]= 32.903619 meV Im[Sigma]= 27.356798 meV Z= 0.636000 lam= 0.572327
-------------------------------------------------------------------
ik = 41 coord.: 0.0900000 0.0900000 0.0900000
-------------------------------------------------------------------
E( 2 )= -1.3662 eV Re[Sigma]= 10.418983 meV Im[Sigma]= 17.302315 meV Z= 2.187478 lam= -0.542853
E( 3 )= -1.0084 eV Re[Sigma]= 51.898015 meV Im[Sigma]= 0.116930 meV Z= 0.687841 lam= 0.453825
E( 4 )= -0.9659 eV Re[Sigma]= 44.608407 meV Im[Sigma]= 0.000221 meV Z= 0.774037 lam= 0.291927
E( 5 )= 1.7503 eV Re[Sigma]= 178.431873 meV Im[Sigma]= 107.219192 meV Z= 0.200276 lam= 3.993120
E( 6 )= 1.9913 eV Re[Sigma]= 11.309890 meV Im[Sigma]= 17.303147 meV Z= 0.599979 lam= 0.666724
-------------------------------------------------------------------
ik = 42 coord.: 0.0800000 0.0800000 0.0800000
-------------------------------------------------------------------
E( 2 )= -1.2441 eV Re[Sigma]= -1.914465 meV Im[Sigma]= 40.542901 meV Z= 20.010648 lam= -0.950027
E( 3 )= -0.9637 eV Re[Sigma]= 55.241301 meV Im[Sigma]= 0.246113 meV Z= 0.688193 lam= 0.453081
E( 4 )= -0.9276 eV Re[Sigma]= 49.863255 meV Im[Sigma]= 0.000750 meV Z= 0.751856 lam= 0.330042
E( 5 )= 1.7738 eV Re[Sigma]= 36.078079 meV Im[Sigma]= 49.100641 meV Z= 2.023247 lam= -0.505745
E( 6 )= 1.9520 eV Re[Sigma]= 20.280912 meV Im[Sigma]= 9.340747 meV Z= 0.591556 lam= 0.690458
-------------------------------------------------------------------
ik = 43 coord.: 0.0700000 0.0700000 0.0700000
-------------------------------------------------------------------
E( 2 )= -1.1345 eV Re[Sigma]= 15.748634 meV Im[Sigma]= 4.411154 meV Z= 0.390615 lam= 1.560064
E( 3 )= -0.9217 eV Re[Sigma]= 60.782287 meV Im[Sigma]= 0.355448 meV Z= 0.686407 lam= 0.456862
E( 4 )= -0.8922 eV Re[Sigma]= 57.561309 meV Im[Sigma]= 0.002699 meV Z= 0.725503 lam= 0.378354
E( 5 )= 1.7902 eV Re[Sigma]= 27.874882 meV Im[Sigma]= 43.593006 meV Z= 1.394036 lam= -0.282658
E( 6 )= 1.9160 eV Re[Sigma]= 10.470237 meV Im[Sigma]= 14.601533 meV Z= 0.744038 lam= 0.344018
-------------------------------------------------------------------
ik = 44 coord.: 0.0600000 0.0600000 0.0600000
-------------------------------------------------------------------
E( 2 )= -1.0382 eV Re[Sigma]= 26.508878 meV Im[Sigma]= 52.767150 meV Z= 0.888622 lam= 0.125337
E( 3 )= -0.8832 eV Re[Sigma]= 67.166090 meV Im[Sigma]= 0.358087 meV Z= 0.678324 lam= 0.474223
E( 4 )= -0.8602 eV Re[Sigma]= 66.309758 meV Im[Sigma]= 0.009707 meV Z= 0.694989 lam= 0.438872
E( 5 )= 1.7996 eV Re[Sigma]= 23.902942 meV Im[Sigma]= 19.483563 meV Z= 0.430785 lam= 1.321342
E( 6 )= 1.8837 eV Re[Sigma]= 17.077260 meV Im[Sigma]= 9.352638 meV Z= 0.571613 lam= 0.749435
-------------------------------------------------------------------
ik = 45 coord.: 0.0500000 0.0500000 0.0500000
-------------------------------------------------------------------
E( 2 )= -0.9556 eV Re[Sigma]= 55.390498 meV Im[Sigma]= 95.421369 meV Z= -0.811623 lam= -2.232099
E( 3 )= -0.8488 eV Re[Sigma]= 75.341178 meV Im[Sigma]= 0.275148 meV Z= 0.658452 lam= 0.518714
E( 4 )= -0.8320 eV Re[Sigma]= 77.321492 meV Im[Sigma]= 0.032674 meV Z= 0.658432 lam= 0.518760
E( 5 )= 1.8029 eV Re[Sigma]= 23.508017 meV Im[Sigma]= 48.610241 meV Z= 1.910308 lam= -0.476524
E( 6 )= 1.8555 eV Re[Sigma]= 20.022599 meV Im[Sigma]= 36.908203 meV Z= 1.537531 lam= -0.349607
-------------------------------------------------------------------
ik = 46 coord.: 0.0400000 0.0400000 0.0400000
-------------------------------------------------------------------
E( 2 )= -0.8873 eV Re[Sigma]= 101.508099 meV Im[Sigma]= 61.797024 meV Z= -33.608518 lam= -1.029754
E( 3 )= -0.8194 eV Re[Sigma]= 84.073655 meV Im[Sigma]= 0.185677 meV Z= 0.631372 lam= 0.583852
E( 4 )= -0.8082 eV Re[Sigma]= 89.227797 meV Im[Sigma]= 0.096238 meV Z= 0.616127 lam= 0.623041
E( 5 )= 1.8016 eV Re[Sigma]= 20.574849 meV Im[Sigma]= 24.956464 meV Z= 0.431727 lam= 1.316279
E( 6 )= 1.8319 eV Re[Sigma]= 12.457717 meV Im[Sigma]= 31.963715 meV Z= 0.940638 lam= 0.063108
-------------------------------------------------------------------
ik = 47 coord.: 0.0300000 0.0300000 0.0300000
-------------------------------------------------------------------
E( 2 )= -0.8337 eV Re[Sigma]= 98.912600 meV Im[Sigma]= 3.603331 meV Z= 0.495927 lam= 1.016425
E( 3 )= -0.7958 eV Re[Sigma]= 95.849255 meV Im[Sigma]= 0.133097 meV Z= 0.596798 lam= 0.675609
E( 4 )= -0.7893 eV Re[Sigma]= 104.481915 meV Im[Sigma]= 0.236631 meV Z= 0.566846 lam= 0.764149
E( 5 )= 1.7977 eV Re[Sigma]= 11.920113 meV Im[Sigma]= 30.626255 meV Z= 0.585826 lam= 0.706991
E( 6 )= 1.8131 eV Re[Sigma]= 11.287723 meV Im[Sigma]= 34.868632 meV Z= 1.927410 lam= -0.481169
-------------------------------------------------------------------
ik = 48 coord.: 0.0200000 0.0200000 0.0200000
-------------------------------------------------------------------
E( 2 )= -0.7952 eV Re[Sigma]= 102.372734 meV Im[Sigma]= 3.831796 meV Z= 0.532619 lam= 0.877515
E( 3 )= -0.7784 eV Re[Sigma]= 109.661647 meV Im[Sigma]= 0.138635 meV Z= 0.553408 lam= 0.806984
E( 4 )= -0.7754 eV Re[Sigma]= 121.594132 meV Im[Sigma]= 0.518833 meV Z= 0.513224 lam= 0.948467
E( 5 )= 1.7931 eV Re[Sigma]= 16.167580 meV Im[Sigma]= 22.136647 meV Z= 0.390815 lam= 1.558755
E( 6 )= 1.7994 eV Re[Sigma]= -1.412420 meV Im[Sigma]= 13.027109 meV Z= 0.471170 lam= 1.122377
-------------------------------------------------------------------
ik = 49 coord.: 0.0100000 0.0100000 0.0100000
-------------------------------------------------------------------
E( 2 )= -0.7719 eV Re[Sigma]= 118.370011 meV Im[Sigma]= 3.685979 meV Z= 0.500732 lam= 0.997075
E( 3 )= -0.7677 eV Re[Sigma]= 128.193635 meV Im[Sigma]= 0.292821 meV Z= 0.498761 lam= 1.004970
E( 4 )= -0.7670 eV Re[Sigma]= 143.110673 meV Im[Sigma]= 1.128406 meV Z= 0.457182 lam= 1.187315
E( 5 )= 1.7896 eV Re[Sigma]= 9.407452 meV Im[Sigma]= 47.345127 meV Z= 0.844233 lam= 0.184507
E( 6 )= 1.7912 eV Re[Sigma]= 0.232323 meV Im[Sigma]= 25.632455 meV Z= 0.607832 lam= 0.645190
-------------------------------------------------------------------
ik = 50 coord.: 0.0000000 0.0100000 0.0100000
-------------------------------------------------------------------
E( 2 )= -0.7760 eV Re[Sigma]= 138.385067 meV Im[Sigma]= 0.821078 meV Z= 0.457828 lam= 1.184225
E( 3 )= -0.7721 eV Re[Sigma]= 119.573106 meV Im[Sigma]= 0.281126 meV Z= 0.515498 lam= 0.939870
E( 4 )= -0.7653 eV Re[Sigma]= 120.112617 meV Im[Sigma]= 2.732182 meV Z= 0.476209 lam= 1.099916
E( 5 )= 1.7849 eV Re[Sigma]= -3.846896 meV Im[Sigma]= 14.000798 meV Z= 0.523080 lam= 0.911754
E( 6 )= 1.7926 eV Re[Sigma]= -16.981734 meV Im[Sigma]= 64.282749 meV Z= -3.378141 lam= -1.296021
-------------------------------------------------------------------
ik = 51 coord.: 0.0000000 0.0200000 0.0200000
-------------------------------------------------------------------
E( 2 )= -0.8109 eV Re[Sigma]= 148.044758 meV Im[Sigma]= 0.896918 meV Z= 0.342732 lam= 1.917735
E( 3 )= -0.7956 eV Re[Sigma]= 97.596209 meV Im[Sigma]= 0.979998 meV Z= 0.573406 lam= 0.743964
E( 4 )= -0.7688 eV Re[Sigma]= 93.349809 meV Im[Sigma]= 1.233752 meV Z= 0.541019 lam= 0.848364
E( 5 )= 1.7744 eV Re[Sigma]= 5.476862 meV Im[Sigma]= 12.687469 meV Z= 0.623606 lam= 0.603577
E( 6 )= 1.8054 eV Re[Sigma]= -8.646044 meV Im[Sigma]= 36.855565 meV Z= 0.399324 lam= 1.504229
-------------------------------------------------------------------
ik = 52 coord.: 0.0000000 0.0300000 0.0300000
-------------------------------------------------------------------
E( 2 )= -0.8672 eV Re[Sigma]= 75.785073 meV Im[Sigma]= 155.772358 meV Z= -0.215151 lam= -5.647892
E( 3 )= -0.8337 eV Re[Sigma]= 85.014933 meV Im[Sigma]= 3.832460 meV Z= 0.548730 lam= 0.822389
E( 4 )= -0.7756 eV Re[Sigma]= 70.926348 meV Im[Sigma]= 0.453221 meV Z= 0.603507 lam= 0.656983
E( 5 )= 1.7569 eV Re[Sigma]= 18.312131 meV Im[Sigma]= 18.363348 meV Z= 0.835086 lam= 0.197481
E( 6 )= 1.8275 eV Re[Sigma]= 60.626349 meV Im[Sigma]= 108.563872 meV Z= -0.617989 lam= -2.618152
-------------------------------------------------------------------
ik = 53 coord.: 0.0000000 0.0400000 0.0400000
-------------------------------------------------------------------
E( 2 )= -0.9429 eV Re[Sigma]= 51.620326 meV Im[Sigma]= 29.753505 meV Z= 0.305791 lam= 2.270203
E( 3 )= -0.8847 eV Re[Sigma]= 54.466281 meV Im[Sigma]= 26.151477 meV Z= 1.762517 lam= -0.432630
E( 4 )= -0.7868 eV Re[Sigma]= 51.789891 meV Im[Sigma]= 0.074557 meV Z= 0.665096 lam= 0.503542
E( 5 )= 1.7322 eV Re[Sigma]= 21.309878 meV Im[Sigma]= 10.408241 meV Z= 0.687101 lam= 0.455389
E( 6 )= 1.8601 eV Re[Sigma]= 45.133560 meV Im[Sigma]= 1.236174 meV Z= 0.519491 lam= 0.924962
-------------------------------------------------------------------
ik = 54 coord.: 0.0000000 0.0500000 0.0500000
-------------------------------------------------------------------
E( 2 )= -1.0353 eV Re[Sigma]= 37.268553 meV Im[Sigma]= 75.167214 meV Z= 0.933149 lam= 0.071640
E( 3 )= -0.9468 eV Re[Sigma]= 29.579787 meV Im[Sigma]= 17.172591 meV Z= 1.587830 lam= -0.370210
E( 4 )= -0.8038 eV Re[Sigma]= 33.272780 meV Im[Sigma]= 0.004162 meV Z= 0.725329 lam= 0.378685
E( 5 )= 1.7005 eV Re[Sigma]= 11.996160 meV Im[Sigma]= 9.209963 meV Z= 0.746841 lam= 0.338973
E( 6 )= 1.9045 eV Re[Sigma]= 23.333723 meV Im[Sigma]= 0.392011 meV Z= 0.642761 lam= 0.555789
-------------------------------------------------------------------
ik = 55 coord.: 0.0000000 0.0600000 0.0600000
-------------------------------------------------------------------
E( 2 )= -1.1421 eV Re[Sigma]= 43.175850 meV Im[Sigma]= 9.841651 meV Z= 0.280693 lam= 2.562608
E( 3 )= -1.0179 eV Re[Sigma]= 24.888043 meV Im[Sigma]= 7.401585 meV Z= 0.834870 lam= 0.197791
E( 4 )= -0.8282 eV Re[Sigma]= 21.454277 meV Im[Sigma]= 0.000374 meV Z= 0.775477 lam= 0.289529
E( 5 )= 1.6618 eV Re[Sigma]= 25.465984 meV Im[Sigma]= 5.439337 meV Z= 0.751519 lam= 0.330638
E( 6 )= 1.9621 eV Re[Sigma]= 23.655872 meV Im[Sigma]= 0.887544 meV Z= 0.728885 lam= 0.371958
-------------------------------------------------------------------
ik = 56 coord.: 0.0000000 0.0700000 0.0700000
-------------------------------------------------------------------
E( 2 )= -1.2608 eV Re[Sigma]= -47.868758 meV Im[Sigma]= 39.574600 meV Z= 0.397672 lam= 1.514635
E( 3 )= -1.0960 eV Re[Sigma]= 11.714063 meV Im[Sigma]= 18.399220 meV Z= 2.701497 lam= -0.629835
E( 4 )= -0.8615 eV Re[Sigma]= 12.251157 meV Im[Sigma]= 0.000047 meV Z= 0.817423 lam= 0.223357
E( 5 )= 1.6161 eV Re[Sigma]= 17.195046 meV Im[Sigma]= 9.567218 meV Z= 0.710954 lam= 0.406561
E( 6 )= 2.0343 eV Re[Sigma]= 26.061422 meV Im[Sigma]= 0.095539 meV Z= 0.761050 lam= 0.313974
-------------------------------------------------------------------
ik = 57 coord.: 0.0000000 0.0800000 0.0800000
-------------------------------------------------------------------
E( 2 )= -1.3894 eV Re[Sigma]= -0.598240 meV Im[Sigma]= 48.664097 meV Z= -7.382580 lam= -1.135454
E( 3 )= -1.1792 eV Re[Sigma]= 4.559187 meV Im[Sigma]= 2.672684 meV Z= 0.809395 lam= 0.235491
E( 4 )= -0.9048 eV Re[Sigma]= 5.082181 meV Im[Sigma]= 0.000003 meV Z= 0.851786 lam= 0.174004
E( 5 )= 1.5639 eV Re[Sigma]= 34.694583 meV Im[Sigma]= 3.082838 meV Z= 0.684075 lam= 0.461828
E( 6 )= 2.1220 eV Re[Sigma]= 25.029098 meV Im[Sigma]= 0.022230 meV Z= 0.819833 lam= 0.219761
-------------------------------------------------------------------
ik = 58 coord.: 0.0000000 0.0900000 0.0900000
-------------------------------------------------------------------
E( 2 )= -1.5262 eV Re[Sigma]= -12.261110 meV Im[Sigma]= 59.602664 meV Z= -0.798476 lam= -2.252386
E( 3 )= -1.2660 eV Re[Sigma]= 0.511928 meV Im[Sigma]= 0.506395 meV Z= 0.829733 lam= 0.205206
E( 4 )= -0.9589 eV Re[Sigma]= -0.354961 meV Im[Sigma]= 0.000000 meV Z= 0.879761 lam= 0.136672
E( 5 )= 1.5054 eV Re[Sigma]= 28.533248 meV Im[Sigma]= 2.304576 meV Z= 0.796303 lam= 0.255803
E( 6 )= 2.2259 eV Re[Sigma]= 22.394020 meV Im[Sigma]= 0.842193 meV Z= 0.878420 lam= 0.138407
-------------------------------------------------------------------
ik = 59 coord.: 0.0000000 0.1000000 0.1000000
-------------------------------------------------------------------
E( 2 )= -1.6696 eV Re[Sigma]= 13.400202 meV Im[Sigma]= 31.017969 meV Z= 1.157244 lam= -0.135878
E( 3 )= -1.3549 eV Re[Sigma]= 0.603119 meV Im[Sigma]= 0.000000 meV Z= 0.913003 lam= 0.095286
E( 4 )= -1.0241 eV Re[Sigma]= -4.332996 meV Im[Sigma]= 0.000000 meV Z= 0.903088 lam= 0.107312
E( 5 )= 1.4410 eV Re[Sigma]= 24.251822 meV Im[Sigma]= 1.389771 meV Z= 0.726148 lam= 0.377130
E( 6 )= 2.3459 eV Re[Sigma]= 23.522289 meV Im[Sigma]= 0.011767 meV Z= 0.886485 lam= 0.128050
-------------------------------------------------------------------
ik = 60 coord.: 0.0000000 0.1100000 0.1100000
-------------------------------------------------------------------
E( 2 )= -1.8183 eV Re[Sigma]= -3.732221 meV Im[Sigma]= 1.107944 meV Z= 0.556365 lam= 0.797382
E( 3 )= -1.4448 eV Re[Sigma]= -1.701831 meV Im[Sigma]= 1.967652 meV Z= 0.997812 lam= 0.002192
E( 4 )= -1.1003 eV Re[Sigma]= -7.896282 meV Im[Sigma]= 0.000000 meV Z= 0.935543 lam= 0.068898
E( 5 )= 1.3712 eV Re[Sigma]= 20.063491 meV Im[Sigma]= 4.684784 meV Z= 0.717588 lam= 0.393557
E( 6 )= 2.4819 eV Re[Sigma]= 21.520756 meV Im[Sigma]= 0.391919 meV Z= 0.953664 lam= 0.048588
-------------------------------------------------------------------
ik = 61 coord.: 0.0000000 0.1200000 0.1200000
-------------------------------------------------------------------
E( 2 )= -1.9712 eV Re[Sigma]= 0.523118 meV Im[Sigma]= 0.524264 meV Z= 0.602277 lam= 0.660365
E( 3 )= -1.5349 eV Re[Sigma]= -6.164868 meV Im[Sigma]= 0.001653 meV Z= 0.960344 lam= 0.041294
E( 4 )= -1.1868 eV Re[Sigma]= -10.733673 meV Im[Sigma]= 0.000000 meV Z= 0.970078 lam= 0.030845
E( 5 )= 1.2966 eV Re[Sigma]= 19.996941 meV Im[Sigma]= 5.683039 meV Z= 0.724684 lam= 0.379911
E( 6 )= 2.6327 eV Re[Sigma]= 19.664777 meV Im[Sigma]= 0.096895 meV Z= 0.986950 lam= 0.013223
-------------------------------------------------------------------
ik = 62 coord.: 0.0000000 0.1300000 0.1300000
-------------------------------------------------------------------
E( 2 )= -2.1275 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 3 )= -1.6244 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 4 )= -1.2827 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 5 )= 1.2176 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
E( 6 )= 2.6292 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
-------------------------------------------------------------------
ik = 63 coord.: 0.0000000 0.1400000 0.1400000
-------------------------------------------------------------------
E( 2 )= -2.2865 eV Re[Sigma]= -8.501807 meV Im[Sigma]= 60.205660 meV Z= -1.078773 lam= -1.926979
E( 3 )= -1.7129 eV Re[Sigma]= -6.848906 meV Im[Sigma]= 1.461027 meV Z= 0.966643 lam= 0.034508
E( 4 )= -1.3868 eV Re[Sigma]= -7.657782 meV Im[Sigma]= 0.000000 meV Z= 0.932707 lam= 0.072148
E( 5 )= 1.1350 eV Re[Sigma]= 43.706072 meV Im[Sigma]= 7.828779 meV Z= 0.757142 lam= 0.320755
E( 6 )= 2.6071 eV Re[Sigma]= 17.242195 meV Im[Sigma]= 0.095357 meV Z= 0.992250 lam= 0.007810
-------------------------------------------------------------------
ik = 64 coord.: 0.0000000 0.1500000 0.1500000
-------------------------------------------------------------------
E( 2 )= -2.4477 eV Re[Sigma]= -25.234377 meV Im[Sigma]= 34.436439 meV Z= 0.960331 lam= 0.041308
E( 3 )= -1.7999 eV Re[Sigma]= -7.462301 meV Im[Sigma]= 3.305544 meV Z= 1.038932 lam= -0.037473
E( 4 )= -1.4978 eV Re[Sigma]= -7.026682 meV Im[Sigma]= 0.000000 meV Z= 0.936395 lam= 0.067925
E( 5 )= 1.0496 eV Re[Sigma]= 55.608212 meV Im[Sigma]= 42.657497 meV Z= 7.350149 lam= -0.863948
E( 6 )= 2.5761 eV Re[Sigma]= 18.106657 meV Im[Sigma]= 0.059651 meV Z= 0.992067 lam= 0.007996
-------------------------------------------------------------------
ik = 65 coord.: 0.0000000 0.1600000 0.1600000
-------------------------------------------------------------------
E( 2 )= -2.6108 eV Re[Sigma]= 8.980077 meV Im[Sigma]= 1.658047 meV Z= 0.461031 lam= 1.169053
E( 3 )= -1.8853 eV Re[Sigma]= -7.160222 meV Im[Sigma]= 0.000739 meV Z= 0.900356 lam= 0.110672
E( 4 )= -1.6143 eV Re[Sigma]= -6.226726 meV Im[Sigma]= 0.000000 meV Z= 0.939372 lam= 0.064541
E( 5 )= 0.9620 eV Re[Sigma]= 38.165356 meV Im[Sigma]= 6.160777 meV Z= 0.426470 lam= 1.344829
E( 6 )= 2.5369 eV Re[Sigma]= 18.733758 meV Im[Sigma]= 0.056316 meV Z= 0.991181 lam= 0.008898
-------------------------------------------------------------------
ik = 66 coord.: 0.0000000 0.1700000 0.1700000
-------------------------------------------------------------------
E( 2 )= -2.7755 eV Re[Sigma]= 11.935355 meV Im[Sigma]= 6.004936 meV Z= 0.514304 lam= 0.944377
E( 3 )= -1.9689 eV Re[Sigma]= -7.373898 meV Im[Sigma]= 0.974624 meV Z= 0.923147 lam= 0.083251
E( 4 )= -1.7346 eV Re[Sigma]= -5.100039 meV Im[Sigma]= 0.000000 meV Z= 0.941148 lam= 0.062533
E( 5 )= 0.8732 eV Re[Sigma]= 35.150786 meV Im[Sigma]= 31.623052 meV Z= 0.584498 lam= 0.710869
E( 6 )= 2.4899 eV Re[Sigma]= 19.655419 meV Im[Sigma]= 0.076145 meV Z= 0.990193 lam= 0.009904
-------------------------------------------------------------------
ik = 67 coord.: 0.0000000 0.1800000 0.1800000
-------------------------------------------------------------------
E( 2 )= -2.9419 eV Re[Sigma]= 3.041034 meV Im[Sigma]= 89.988125 meV Z= -0.361962 lam= -3.762722
E( 3 )= -2.0507 eV Re[Sigma]= -7.252683 meV Im[Sigma]= 0.290233 meV Z= 0.912570 lam= 0.095806
E( 4 )= -1.8575 eV Re[Sigma]= -3.660193 meV Im[Sigma]= 0.000000 meV Z= 0.941778 lam= 0.061822
E( 5 )= 0.7839 eV Re[Sigma]= 37.463134 meV Im[Sigma]= 48.384602 meV Z= 1.265454 lam= -0.209770
E( 6 )= 2.4358 eV Re[Sigma]= 21.147745 meV Im[Sigma]= 0.120560 meV Z= 0.985134 lam= 0.015090
-------------------------------------------------------------------
ik = 68 coord.: 0.0000000 0.1900000 0.1900000
-------------------------------------------------------------------
E( 2 )= -3.1099 eV Re[Sigma]= 13.457055 meV Im[Sigma]= 62.435346 meV Z= 0.842533 lam= 0.186896
E( 3 )= -2.1308 eV Re[Sigma]= -7.367889 meV Im[Sigma]= 1.316352 meV Z= 0.976165 lam= 0.024417
E( 4 )= -1.9812 eV Re[Sigma]= -1.893019 meV Im[Sigma]= 0.000000 meV Z= 0.941210 lam= 0.062462
E( 5 )= 0.6952 eV Re[Sigma]= 15.047675 meV Im[Sigma]= 122.398164 meV Z= -0.859827 lam= -2.163025
E( 6 )= 2.3752 eV Re[Sigma]= 22.856422 meV Im[Sigma]= 2.747477 meV Z= 1.050030 lam= -0.047646
-------------------------------------------------------------------
ik = 69 coord.: 0.0000000 0.2000000 0.2000000
-------------------------------------------------------------------
E( 2 )= -3.2797 eV Re[Sigma]= -94.403378 meV Im[Sigma]= 136.168922 meV Z= -0.970246 lam= -2.030666
E( 3 )= -2.2093 eV Re[Sigma]= -5.970520 meV Im[Sigma]= 0.019830 meV Z= 0.907161 lam= 0.102340
E( 4 )= -2.1045 eV Re[Sigma]= 0.377856 meV Im[Sigma]= 0.000000 meV Z= 0.939038 lam= 0.064919
E( 5 )= 0.6080 eV Re[Sigma]= -15.908657 meV Im[Sigma]= 0.730597 meV Z= 0.588235 lam= 0.700000
E( 6 )= 2.3086 eV Re[Sigma]= 23.837404 meV Im[Sigma]= 3.138625 meV Z= 1.075702 lam= -0.070375
-------------------------------------------------------------------
ik = 70 coord.: 0.0000000 0.2100000 0.2100000
-------------------------------------------------------------------
E( 2 )= -3.4514 eV Re[Sigma]= -40.855091 meV Im[Sigma]= 6.725224 meV Z= 0.508428 lam= 0.966846
E( 3 )= -2.2864 eV Re[Sigma]= -5.123768 meV Im[Sigma]= 0.560784 meV Z= 0.934908 lam= 0.069624
E( 4 )= -2.2260 eV Re[Sigma]= 2.995002 meV Im[Sigma]= 0.000000 meV Z= 0.935235 lam= 0.069250
E( 5 )= 0.5233 eV Re[Sigma]= 9.415991 meV Im[Sigma]= 5.652112 meV Z= 0.937113 lam= 0.067107
E( 6 )= 2.2368 eV Re[Sigma]= 25.294719 meV Im[Sigma]= 0.960817 meV Z= 0.950779 lam= 0.051769
-------------------------------------------------------------------
ik = 71 coord.: 0.0000000 0.2200000 0.2200000
-------------------------------------------------------------------
E( 2 )= -3.6253 eV Re[Sigma]= -42.266610 meV Im[Sigma]= 65.126103 meV Z= -1.260525 lam= -1.793320
E( 3 )= -2.3622 eV Re[Sigma]= -3.759487 meV Im[Sigma]= 0.000217 meV Z= 0.909631 lam= 0.099347
E( 4 )= -2.3443 eV Re[Sigma]= 6.264772 meV Im[Sigma]= 0.000000 meV Z= 0.928483 lam= 0.077026
E( 5 )= 0.4419 eV Re[Sigma]= 19.512694 meV Im[Sigma]= 3.972978 meV Z= 0.846086 lam= 0.181913
E( 6 )= 2.1605 eV Re[Sigma]= 26.209443 meV Im[Sigma]= 0.075781 meV Z= 0.934538 lam= 0.070047
-------------------------------------------------------------------
ik = 72 coord.: 0.0000000 0.2300000 0.2300000
-------------------------------------------------------------------
E( 2 )= -3.8017 eV Re[Sigma]= -7.115165 meV Im[Sigma]= 14.088877 meV Z= 0.436700 lam= 1.289904
E( 3 )= -2.4584 eV Re[Sigma]= 10.678318 meV Im[Sigma]= 0.040715 meV Z= 0.916004 lam= 0.091698
E( 4 )= -2.4370 eV Re[Sigma]= -1.265251 meV Im[Sigma]= 0.000008 meV Z= 0.904444 lam= 0.105652
E( 5 )= 0.3649 eV Re[Sigma]= 32.960061 meV Im[Sigma]= 1.347393 meV Z= 0.755773 lam= 0.323148
E( 6 )= 2.0806 eV Re[Sigma]= 27.840320 meV Im[Sigma]= 2.839193 meV Z= 1.042841 lam= -0.041081
-------------------------------------------------------------------
ik = 73 coord.: 0.0000000 0.2400000 0.2400000
-------------------------------------------------------------------
E( 2 )= -3.9806 eV Re[Sigma]= -75.926481 meV Im[Sigma]= 1.571152 meV Z= 0.389109 lam= 1.569972
E( 3 )= -2.5670 eV Re[Sigma]= 16.880646 meV Im[Sigma]= 0.226162 meV Z= 0.894557 lam= 0.117872
E( 4 )= -2.5110 eV Re[Sigma]= 3.271227 meV Im[Sigma]= 0.000004 meV Z= 0.891170 lam= 0.122120
E( 5 )= 0.2930 eV Re[Sigma]= 53.086008 meV Im[Sigma]= 5.892864 meV Z= 0.804725 lam= 0.242660
E( 6 )= 1.9977 eV Re[Sigma]= 32.724593 meV Im[Sigma]= 0.395176 meV Z= 0.932568 lam= 0.072307
-------------------------------------------------------------------
ik = 74 coord.: 0.0000000 0.2500000 0.2500000
-------------------------------------------------------------------
E( 2 )= -4.1623 eV Re[Sigma]= -27.103669 meV Im[Sigma]= 1.083789 meV Z= 0.621887 lam= 0.608009
E( 3 )= -2.6691 eV Re[Sigma]= 27.111325 meV Im[Sigma]= 0.332053 meV Z= 0.851116 lam= 0.174927
E( 4 )= -2.5845 eV Re[Sigma]= 15.053550 meV Im[Sigma]= 0.000003 meV Z= 0.843106 lam= 0.186090
E( 5 )= 0.2271 eV Re[Sigma]= 86.822403 meV Im[Sigma]= 86.231302 meV Z= 16.006099 lam= -0.937524
E( 6 )= 1.9128 eV Re[Sigma]= 38.777172 meV Im[Sigma]= 1.319316 meV Z= 0.886694 lam= 0.127785
-------------------------------------------------------------------
ik = 75 coord.: 0.0000000 0.2600000 0.2600000
-------------------------------------------------------------------
E( 2 )= -4.3469 eV Re[Sigma]= -27.316961 meV Im[Sigma]= 20.668360 meV Z= 0.865402 lam= 0.155532
E( 3 )= -2.7640 eV Re[Sigma]= 34.217813 meV Im[Sigma]= 3.547331 meV Z= 0.606191 lam= 0.649644
E( 4 )= -2.6576 eV Re[Sigma]= 50.270131 meV Im[Sigma]= 1.069681 meV Z= 0.396667 lam= 1.521008
E( 5 )= 0.1678 eV Re[Sigma]= 0.107866 meV Im[Sigma]= 100.933121 meV Z= -4.229918 lam= -1.236411
E( 6 )= 1.8267 eV Re[Sigma]= 43.754278 meV Im[Sigma]= 0.414741 meV Z= 0.843163 lam= 0.186011
-------------------------------------------------------------------
ik = 76 coord.: 0.0000000 0.2700000 0.2700000
-------------------------------------------------------------------
E( 2 )= -4.5344 eV Re[Sigma]= -11.458434 meV Im[Sigma]= 0.752145 meV Z= 0.584849 lam= 0.709844
E( 3 )= -2.8508 eV Re[Sigma]= 36.065214 meV Im[Sigma]= 3.154739 meV Z= 0.540374 lam= 0.850570
E( 4 )= -2.7304 eV Re[Sigma]= 12.390300 meV Im[Sigma]= 6.107660 meV Z= 0.312337 lam= 2.201670
E( 5 )= 0.1155 eV Re[Sigma]= -12.401991 meV Im[Sigma]= 75.112101 meV Z= -2.202075 lam= -1.454117
E( 6 )= 1.7400 eV Re[Sigma]= 45.309572 meV Im[Sigma]= 2.420785 meV Z= 0.893729 lam= 0.118907
-------------------------------------------------------------------
ik = 77 coord.: 0.0000000 0.2800000 0.2800000
-------------------------------------------------------------------
E( 2 )= -4.7248 eV Re[Sigma]= -3.867437 meV Im[Sigma]= 3.917686 meV Z= 0.543486 lam= 0.839975
E( 3 )= -2.9290 eV Re[Sigma]= 47.722741 meV Im[Sigma]= 2.433379 meV Z= 0.446405 lam= 1.240121
E( 4 )= -2.8031 eV Re[Sigma]= 12.821370 meV Im[Sigma]= 74.889256 meV Z= -1.821106 lam= -1.549117
E( 5 )= 0.0706 eV Re[Sigma]= -24.610137 meV Im[Sigma]= 59.418442 meV Z= -12.264385 lam= -1.081537
E( 6 )= 1.6536 eV Re[Sigma]= 49.205251 meV Im[Sigma]= 0.169822 meV Z= 0.833228 lam= 0.200152
-------------------------------------------------------------------
ik = 78 coord.: 0.0000000 0.2900000 0.2900000
-------------------------------------------------------------------
E( 2 )= -4.9180 eV Re[Sigma]= -1.134099 meV Im[Sigma]= 29.307513 meV Z= 0.636522 lam= 0.571037
E( 3 )= -2.9980 eV Re[Sigma]= 105.861841 meV Im[Sigma]= 16.533712 meV Z= 0.243875 lam= 3.100460
E( 4 )= -2.8756 eV Re[Sigma]= 5.066793 meV Im[Sigma]= 56.491179 meV Z= 0.734868 lam= 0.360789
E( 5 )= 0.0334 eV Re[Sigma]= -21.704011 meV Im[Sigma]= 18.748641 meV Z= 0.602444 lam= 0.659905
E( 6 )= 1.5681 eV Re[Sigma]= 53.020358 meV Im[Sigma]= 4.077391 meV Z= 1.033308 lam= -0.032234
-------------------------------------------------------------------
ik = 79 coord.: 0.0000000 0.3000000 0.3000000
-------------------------------------------------------------------
E( 2 )= -5.1138 eV Re[Sigma]= -1.256012 meV Im[Sigma]= 64.381983 meV Z= 0.874852 lam= 0.143050
E( 3 )= -3.0575 eV Re[Sigma]= -6.844954 meV Im[Sigma]= 124.578542 meV Z= 6.937937 lam= -0.855865
E( 4 )= -2.9480 eV Re[Sigma]= -7.022178 meV Im[Sigma]= 21.638470 meV Z= 0.296579 lam= 2.371777
E( 5 )= 0.0038 eV Re[Sigma]= -7.731229 meV Im[Sigma]= 1.380730 meV Z= 0.509872 lam= 0.961278
E( 6 )= 1.4842 eV Re[Sigma]= 56.967540 meV Im[Sigma]= 0.099135 meV Z= 0.805588 lam= 0.241329
-------------------------------------------------------------------
ik = 80 coord.: 0.0000000 0.3100000 0.3100000
-------------------------------------------------------------------
E( 2 )= -5.3119 eV Re[Sigma]= -63.985170 meV Im[Sigma]= 0.000251 meV Z= 0.761872 lam= 0.312557
E( 3 )= -3.1074 eV Re[Sigma]= -18.598696 meV Im[Sigma]= 130.481331 meV Z= -21.795906 lam= -1.045880
E( 4 )= -3.0202 eV Re[Sigma]= -22.954804 meV Im[Sigma]= 43.900785 meV Z= 0.488872 lam= 1.045523
E( 5 )= -0.0184 eV Re[Sigma]= -0.556932 meV Im[Sigma]= 18.003957 meV Z= 0.771392 lam= 0.296357
E( 6 )= 1.4026 eV Re[Sigma]= 61.537563 meV Im[Sigma]= 2.451495 meV Z= 0.843350 lam= 0.185748
-------------------------------------------------------------------
ik = 81 coord.: 0.0000000 0.3200000 0.3200000
-------------------------------------------------------------------
E( 2 )= -5.5120 eV Re[Sigma]= -41.794167 meV Im[Sigma]= 0.000097 meV Z= 0.913352 lam= 0.094869
E( 3 )= -3.1476 eV Re[Sigma]= 9.914637 meV Im[Sigma]= 126.911327 meV Z= -1.329741 lam= -1.752026
E( 4 )= -3.0919 eV Re[Sigma]= -7.667706 meV Im[Sigma]= 64.950145 meV Z= 24.579808 lam= -0.959316
E( 5 )= -0.0334 eV Re[Sigma]= 0.586167 meV Im[Sigma]= 18.411852 meV Z= 0.817731 lam= 0.222896
E( 6 )= 1.3237 eV Re[Sigma]= 66.278103 meV Im[Sigma]= 1.904661 meV Z= 0.771800 lam= 0.295673
-------------------------------------------------------------------
ik = 82 coord.: 0.0000000 0.3300000 0.3300000
-------------------------------------------------------------------
E( 2 )= -5.7137 eV Re[Sigma]= -34.261300 meV Im[Sigma]= 0.000007 meV Z= 0.937425 lam= 0.066752
E( 3 )= -3.1782 eV Re[Sigma]= -4.353115 meV Im[Sigma]= 123.773806 meV Z= -1.927933 lam= -1.518690
E( 4 )= -3.1629 eV Re[Sigma]= -16.266621 meV Im[Sigma]= 33.203270 meV Z= 0.428177 lam= 1.335482
E( 5 )= -0.0416 eV Re[Sigma]= 1.633149 meV Im[Sigma]= 12.111726 meV Z= 0.771895 lam= 0.295512
E( 6 )= 1.2480 eV Re[Sigma]= 78.542298 meV Im[Sigma]= 28.616712 meV Z= 1.108171 lam= -0.097612
-------------------------------------------------------------------
ik = 83 coord.: 0.0000000 0.3400000 0.3400000
-------------------------------------------------------------------
E( 2 )= -5.9166 eV Re[Sigma]= -30.061379 meV Im[Sigma]= 0.000034 meV Z= 0.944385 lam= 0.058891
E( 3 )= -3.2330 eV Re[Sigma]= -32.331814 meV Im[Sigma]= 56.418825 meV Z= 1.333377 lam= -0.250025
E( 4 )= -3.1997 eV Re[Sigma]= -21.028377 meV Im[Sigma]= 100.924196 meV Z= 0.879350 lam= 0.137204
E( 5 )= -0.0437 eV Re[Sigma]= 4.432111 meV Im[Sigma]= 5.159880 meV Z= 0.612461 lam= 0.632756
E( 6 )= 1.1760 eV Re[Sigma]= 72.928726 meV Im[Sigma]= 14.489430 meV Z= 0.897649 lam= 0.114021
-------------------------------------------------------------------
ik = 84 coord.: 0.0000000 0.3500000 0.3500000
-------------------------------------------------------------------
E( 2 )= -6.1201 eV Re[Sigma]= -27.299448 meV Im[Sigma]= 0.000254 meV Z= 0.946201 lam= 0.056858
E( 3 )= -3.3017 eV Re[Sigma]= -12.059909 meV Im[Sigma]= 34.092023 meV Z= 0.403646 lam= 1.477421
E( 4 )= -3.2123 eV Re[Sigma]= -24.064071 meV Im[Sigma]= 133.075645 meV Z= -4.030504 lam= -1.248108
E( 5 )= -0.0402 eV Re[Sigma]= 4.805258 meV Im[Sigma]= 2.892064 meV Z= 0.616738 lam= 0.621434
E( 6 )= 1.1080 eV Re[Sigma]= 79.258983 meV Im[Sigma]= 16.652257 meV Z= 1.463001 lam= -0.316473
-------------------------------------------------------------------
ik = 85 coord.: 0.0000000 0.3600000 0.3600000
-------------------------------------------------------------------
E( 2 )= -6.3239 eV Re[Sigma]= -25.154616 meV Im[Sigma]= 0.000787 meV Z= 0.945554 lam= 0.057581
E( 3 )= -3.3687 eV Re[Sigma]= -36.440490 meV Im[Sigma]= 33.561676 meV Z= 0.412168 lam= 1.426196
E( 4 )= -3.2168 eV Re[Sigma]= -35.314929 meV Im[Sigma]= 133.164038 meV Z= -0.776635 lam= -2.287607
E( 5 )= -0.0319 eV Re[Sigma]= 2.987937 meV Im[Sigma]= 2.344710 meV Z= 0.660926 lam= 0.513028
E( 6 )= 1.0442 eV Re[Sigma]= 79.073205 meV Im[Sigma]= 23.339174 meV Z= 1.211090 lam= -0.174297
-------------------------------------------------------------------
ik = 86 coord.: 0.0000000 0.3700000 0.3700000
-------------------------------------------------------------------
E( 2 )= -6.5274 eV Re[Sigma]= -23.495622 meV Im[Sigma]= 0.001823 meV Z= 0.944139 lam= 0.059166
E( 3 )= -3.4336 eV Re[Sigma]= -18.329844 meV Im[Sigma]= 52.589704 meV Z= 1.642688 lam= -0.391242
E( 4 )= -3.2139 eV Re[Sigma]= -28.953606 meV Im[Sigma]= 127.803854 meV Z= -0.708242 lam= -2.411946
E( 5 )= -0.0195 eV Re[Sigma]= -0.693771 meV Im[Sigma]= 0.825132 meV Z= 0.662300 lam= 0.509891
E( 6 )= 0.9848 eV Re[Sigma]= 60.224765 meV Im[Sigma]= 31.480515 meV Z= 0.678673 lam= 0.473464
-------------------------------------------------------------------
ik = 87 coord.: 0.0000000 0.3800000 0.3800000
-------------------------------------------------------------------
E( 2 )= -6.7300 eV Re[Sigma]= -21.712639 meV Im[Sigma]= 0.003667 meV Z= 0.941481 lam= 0.062156
E( 3 )= -3.4959 eV Re[Sigma]= -23.285241 meV Im[Sigma]= 39.958907 meV Z= 0.523879 lam= 0.908837
E( 4 )= -3.2044 eV Re[Sigma]= -19.879103 meV Im[Sigma]= 88.036516 meV Z= 0.511084 lam= 0.956625
E( 5 )= -0.0039 eV Re[Sigma]= -6.827483 meV Im[Sigma]= 0.096402 meV Z= 0.663984 lam= 0.506060
E( 6 )= 0.9301 eV Re[Sigma]= 80.507914 meV Im[Sigma]= 33.431388 meV Z= 0.553120 lam= 0.807924
-------------------------------------------------------------------
ik = 88 coord.: 0.0000000 0.3900000 0.3900000
-------------------------------------------------------------------
E( 2 )= -6.9313 eV Re[Sigma]= -20.233336 meV Im[Sigma]= 0.006802 meV Z= 0.938463 lam= 0.065573
E( 3 )= -3.5553 eV Re[Sigma]= -24.624496 meV Im[Sigma]= 50.030980 meV Z= 2.062747 lam= -0.515209
E( 4 )= -3.1894 eV Re[Sigma]= -27.855655 meV Im[Sigma]= 76.853990 meV Z= 0.566119 lam= 0.766414
E( 5 )= 0.0142 eV Re[Sigma]= -14.545831 meV Im[Sigma]= 0.098235 meV Z= 0.635796 lam= 0.572831
E( 6 )= 0.8800 eV Re[Sigma]= 63.882619 meV Im[Sigma]= 15.190369 meV Z= 0.490293 lam= 1.039599
-------------------------------------------------------------------
ik = 89 coord.: 0.0000000 0.4000000 0.4000000
-------------------------------------------------------------------
E( 2 )= -7.1306 eV Re[Sigma]= -18.546842 meV Im[Sigma]= 0.011972 meV Z= 0.934225 lam= 0.070406
E( 3 )= -3.6112 eV Re[Sigma]= -22.252605 meV Im[Sigma]= 40.872605 meV Z= 0.607824 lam= 0.645214
E( 4 )= -3.1700 eV Re[Sigma]= -9.556942 meV Im[Sigma]= 86.721073 meV Z= -3.571960 lam= -1.279958
E( 5 )= 0.0339 eV Re[Sigma]= -25.888641 meV Im[Sigma]= 5.336965 meV Z= 0.624904 lam= 0.600246
E( 6 )= 0.8346 eV Re[Sigma]= 79.240064 meV Im[Sigma]= 57.052497 meV Z= 1.695816 lam= -0.410313
-------------------------------------------------------------------
ik = 90 coord.: 0.0000000 0.4100000 0.4100000
-------------------------------------------------------------------
E( 2 )= -7.3275 eV Re[Sigma]= -16.188694 meV Im[Sigma]= 0.020325 meV Z= 0.926725 lam= 0.079069
E( 3 )= -3.6633 eV Re[Sigma]= -21.548236 meV Im[Sigma]= 29.423759 meV Z= 0.391512 lam= 1.554203
E( 4 )= -3.1473 eV Re[Sigma]= -25.343161 meV Im[Sigma]= 74.573794 meV Z= 2.943071 lam= -0.660219
E( 5 )= 0.0545 eV Re[Sigma]= -38.049537 meV Im[Sigma]= 18.495005 meV Z= 0.615804 lam= 0.623894
E( 6 )= 0.7938 eV Re[Sigma]= 63.410570 meV Im[Sigma]= 41.798746 meV Z= 1.497449 lam= -0.332198
-------------------------------------------------------------------
ik = 91 coord.: 0.0000000 0.4200000 0.4200000
-------------------------------------------------------------------
E( 2 )= -7.5212 eV Re[Sigma]= -11.321382 meV Im[Sigma]= 0.033717 meV Z= 0.901915 lam= 0.108752
E( 3 )= -3.7111 eV Re[Sigma]= -32.920709 meV Im[Sigma]= 51.129987 meV Z= 2.389173 lam= -0.581445
E( 4 )= -3.1226 eV Re[Sigma]= -11.494577 meV Im[Sigma]= 33.993030 meV Z= 0.485275 lam= 1.060685
E( 5 )= 0.0752 eV Re[Sigma]= -32.318866 meV Im[Sigma]= 47.531104 meV Z= 3.494155 lam= -0.713808
E( 6 )= 0.7576 eV Re[Sigma]= 69.471004 meV Im[Sigma]= 40.875988 meV Z= 0.766213 lam= 0.305120
-------------------------------------------------------------------
ik = 92 coord.: 0.0000000 0.4300000 0.4300000
-------------------------------------------------------------------
E( 2 )= -7.7111 eV Re[Sigma]= 7.808962 meV Im[Sigma]= 35.051903 meV Z= 0.868215 lam= 0.151788
E( 3 )= -3.7543 eV Re[Sigma]= -45.356905 meV Im[Sigma]= 19.503841 meV Z= 0.373735 lam= 1.675693
E( 4 )= -3.0970 eV Re[Sigma]= -27.050684 meV Im[Sigma]= 52.337519 meV Z= 0.736966 lam= 0.356915
E( 5 )= 0.0954 eV Re[Sigma]= -26.319446 meV Im[Sigma]= 68.077847 meV Z= -1.114709 lam= -1.897095
E( 6 )= 0.7260 eV Re[Sigma]= 47.776771 meV Im[Sigma]= 56.836165 meV Z= 0.516621 lam= 0.935655
-------------------------------------------------------------------
ik = 93 coord.: 0.0000000 0.4400000 0.4400000
-------------------------------------------------------------------
E( 2 )= -7.8965 eV Re[Sigma]= -24.941155 meV Im[Sigma]= 1.480282 meV Z= 0.647904 lam= 0.543440
E( 3 )= -3.7924 eV Re[Sigma]= -37.739003 meV Im[Sigma]= 28.359456 meV Z= 0.669583 lam= 0.493467
E( 4 )= -3.0719 eV Re[Sigma]= -7.921728 meV Im[Sigma]= 23.516966 meV Z= 0.476310 lam= 1.099472
E( 5 )= 0.1143 eV Re[Sigma]= -25.177242 meV Im[Sigma]= 48.324617 meV Z= 0.890144 lam= 0.123414
E( 6 )= 0.6988 eV Re[Sigma]= 34.062485 meV Im[Sigma]= 92.800284 meV Z= 37.615063 lam= -0.973415
-------------------------------------------------------------------
ik = 94 coord.: 0.0000000 0.4500000 0.4500000
-------------------------------------------------------------------
E( 2 )= -8.0764 eV Re[Sigma]= -15.930941 meV Im[Sigma]= 4.215015 meV Z= 0.696213 lam= 0.436341
E( 3 )= -3.8253 eV Re[Sigma]= -30.875263 meV Im[Sigma]= 17.758026 meV Z= 0.399347 lam= 1.504088
E( 4 )= -3.0484 eV Re[Sigma]= -21.287392 meV Im[Sigma]= 19.454141 meV Z= 0.465348 lam= 1.148929
E( 5 )= 0.1314 eV Re[Sigma]= -24.638443 meV Im[Sigma]= 67.266101 meV Z= 1.790698 lam= -0.441559
E( 6 )= 0.6759 eV Re[Sigma]= 6.153232 meV Im[Sigma]= 26.965901 meV Z= 0.363136 lam= 1.753789
-------------------------------------------------------------------
ik = 95 coord.: 0.0000000 0.4600000 0.4600000
-------------------------------------------------------------------
E( 2 )= -8.2495 eV Re[Sigma]= -22.158843 meV Im[Sigma]= 0.499378 meV Z= 0.771935 lam= 0.295446
E( 3 )= -3.8525 eV Re[Sigma]= -27.210898 meV Im[Sigma]= 58.032602 meV Z= 1.301772 lam= -0.231816
E( 4 )= -3.0275 eV Re[Sigma]= -12.413758 meV Im[Sigma]= 64.181305 meV Z= -0.967645 lam= -2.033437
E( 5 )= 0.1462 eV Re[Sigma]= -16.376017 meV Im[Sigma]= 61.092430 meV Z= 0.612588 lam= 0.632419
E( 6 )= 0.6574 eV Re[Sigma]= 17.596719 meV Im[Sigma]= 37.191036 meV Z= 0.519970 lam= 0.923189
-------------------------------------------------------------------
ik = 96 coord.: 0.0000000 0.4700000 0.4700000
-------------------------------------------------------------------
E( 2 )= -8.4135 eV Re[Sigma]= -30.778911 meV Im[Sigma]= 28.660093 meV Z= 3.710989 lam= -0.730530
E( 3 )= -3.8740 eV Re[Sigma]= -40.048933 meV Im[Sigma]= 37.702052 meV Z= 0.483749 lam= 1.067189
E( 4 )= -3.0102 eV Re[Sigma]= -6.206590 meV Im[Sigma]= 26.632609 meV Z= 0.612903 lam= 0.631581
E( 5 )= 0.1581 eV Re[Sigma]= -15.475978 meV Im[Sigma]= 66.159338 meV Z= 1.026692 lam= -0.025998
E( 6 )= 0.6430 eV Re[Sigma]= 1.784342 meV Im[Sigma]= 62.656262 meV Z= -3.198541 lam= -1.312643
-------------------------------------------------------------------
ik = 97 coord.: 0.0000000 0.4800000 0.4800000
-------------------------------------------------------------------
E( 2 )= -8.5631 eV Re[Sigma]= -20.501396 meV Im[Sigma]= 0.836254 meV Z= 0.738163 lam= 0.354715
E( 3 )= -3.8895 eV Re[Sigma]= -54.524153 meV Im[Sigma]= 73.047233 meV Z= -3.710204 lam= -1.269527
E( 4 )= -2.9973 eV Re[Sigma]= -5.888794 meV Im[Sigma]= 32.660710 meV Z= 1.899013 lam= -0.473411
E( 5 )= 0.1670 eV Re[Sigma]= -9.761404 meV Im[Sigma]= 71.854095 meV Z= 0.603525 lam= 0.656931
E( 6 )= 0.6327 eV Re[Sigma]= -4.581488 meV Im[Sigma]= 37.673956 meV Z= 1.414259 lam= -0.292916
-------------------------------------------------------------------
ik = 98 coord.: 0.0000000 0.4900000 0.4900000
-------------------------------------------------------------------
E( 2 )= -8.6841 eV Re[Sigma]= -25.228228 meV Im[Sigma]= 38.758819 meV Z= -1.202542 lam= -1.831572
E( 3 )= -3.8988 eV Re[Sigma]= -62.962507 meV Im[Sigma]= 42.154610 meV Z= 0.846549 lam= 0.181266
E( 4 )= -2.9893 eV Re[Sigma]= -5.595527 meV Im[Sigma]= 19.927451 meV Z= 0.895573 lam= 0.116603
E( 5 )= 0.1724 eV Re[Sigma]= -3.408286 meV Im[Sigma]= 75.851437 meV Z= 1.772158 lam= -0.435716
E( 6 )= 0.6266 eV Re[Sigma]= -0.884648 meV Im[Sigma]= 19.050954 meV Z= 0.904289 lam= 0.105841
-------------------------------------------------------------------
1 2 -8.0827 0.0000 0.0000 1.0000 0.0000
2 2 -8.0724 0.0000 0.0000 1.0000 0.0000
3 2 -8.0420 0.0000 0.0000 1.0000 0.0000
4 2 -7.9923 0.0000 0.0000 1.0000 0.0000
5 2 -7.9248 0.0000 0.0000 1.0000 0.0000
6 2 -7.8412 0.0000 0.0000 1.0000 0.0000
7 2 -7.7432 0.0000 0.0000 1.0000 0.0000
8 2 -7.6324 0.0000 0.0000 1.0000 0.0000
9 2 -7.5100 0.0000 0.0000 1.0000 0.0000
10 2 -7.3774 -6.3303 0.0763 0.8897 0.1240
11 2 -7.2356 -17.0797 0.0394 0.7940 0.2595
12 2 -7.0853 23.7263 0.0183 0.7233 0.3825
13 2 -6.9274 9.2516 0.0074 0.8690 0.1507
14 2 -6.5907 5.2780 0.0007 0.8894 0.1243
15 2 -6.4130 4.3399 0.0002 0.8929 0.1199
16 2 -6.2296 3.3787 0.0001 0.8949 0.1174
17 2 -6.0410 2.5253 0.0000 0.8952 0.1171
18 2 -5.8476 1.6407 0.0001 0.9001 0.1110
19 2 -5.6497 -3.6133 0.0005 0.8888 0.1251
20 2 -5.4478 -11.6157 0.0015 0.8482 0.1790
21 2 -5.2424 9.4625 85.3607 -6.1678 -1.1621
22 2 -5.0339 28.7320 30.0435 1.0573 -0.0542
23 2 -4.8228 17.6313 0.5497 0.5799 0.7245
24 2 -4.6096 21.7562 0.0126 0.8675 0.1528
25 2 -4.3950 17.5677 0.0168 0.8998 0.1113
26 2 -4.1796 10.1857 0.0000 0.9722 0.0285
27 2 -3.9639 7.6772 0.0000 0.9753 0.0254
28 2 -3.7488 5.8645 0.0000 0.9741 0.0266
29 2 -3.5349 1.9537 0.0000 0.9500 0.0527
30 2 -3.3231 0.0000 0.0000 1.0000 0.0000
31 2 -3.1140 0.0000 0.0000 1.0000 0.0000
32 2 -2.9086 0.0000 0.0000 1.0000 0.0000
33 2 -2.7078 0.0000 0.0000 1.0000 0.0000
34 2 -2.5123 0.0000 0.0000 1.0000 0.0000
35 2 -2.3230 0.0000 0.0000 1.0000 0.0000
36 2 -2.1408 -6.8699 0.0000 0.9634 0.0380
37 2 -1.9666 -16.6947 0.0000 0.8537 0.1714
38 2 -1.8013 11.6458 48.5283 1.6573 -0.3966
39 2 -1.6456 18.5555 28.5002 1.8249 -0.4520
40 2 -1.5003 21.8207 0.1917 0.7679 0.3022
41 2 -1.3662 10.4190 17.3023 2.1875 -0.5429
42 2 -1.2441 -1.9145 40.5429 20.0106 -0.9500
43 2 -1.1345 15.7486 4.4112 0.3906 1.5601
44 2 -1.0382 26.5089 52.7671 0.8886 0.1253
45 2 -0.9556 55.3905 95.4214 -0.8116 -2.2321
46 2 -0.8873 101.5081 61.7970 -33.6085 -1.0298
47 2 -0.8337 98.9126 3.6033 0.4959 1.0164
48 2 -0.7952 102.3727 3.8318 0.5326 0.8775
49 2 -0.7719 118.3700 3.6860 0.5007 0.9971
50 2 -0.7760 138.3851 0.8211 0.4578 1.1842
51 2 -0.8109 148.0448 0.8969 0.3427 1.9177
52 2 -0.8672 75.7851 155.7724 -0.2152 -5.6479
53 2 -0.9429 51.6203 29.7535 0.3058 2.2702
54 2 -1.0353 37.2686 75.1672 0.9331 0.0716
55 2 -1.1421 43.1759 9.8417 0.2807 2.5626
56 2 -1.2608 -47.8688 39.5746 0.3977 1.5146
57 2 -1.3894 -0.5982 48.6641 -7.3826 -1.1355
58 2 -1.5262 -12.2611 59.6027 -0.7985 -2.2524
59 2 -1.6696 13.4002 31.0180 1.1572 -0.1359
60 2 -1.8183 -3.7322 1.1079 0.5564 0.7974
61 2 -1.9712 0.5231 0.5243 0.6023 0.6604
62 2 -2.1275 0.0000 0.0000 1.0000 0.0000
63 2 -2.2865 -8.5018 60.2057 -1.0788 -1.9270
64 2 -2.4477 -25.2344 34.4364 0.9603 0.0413
65 2 -2.6108 8.9801 1.6580 0.4610 1.1691
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4 6 3.5845 0.0000 0.0000 1.0000 0.0000
5 6 3.5742 0.0000 0.0000 1.0000 0.0000
6 6 3.5610 0.0000 0.0000 1.0000 0.0000
7 6 3.5451 0.0000 0.0000 1.0000 0.0000
8 6 3.5265 0.0000 0.0000 1.0000 0.0000
9 6 3.5054 0.0000 0.0000 1.0000 0.0000
10 6 3.4818 14.4350 33.9803 0.6344 0.5762
11 6 3.4558 4.9246 58.6571 -2.3504 -1.4255
12 6 3.4276 7.1734 69.3314 -0.5816 -2.7194
13 6 3.3973 12.0330 57.2761 -961.7992 -1.0010
14 6 3.3309 -3.9768 17.8147 0.4033 1.4794
15 6 3.2950 -16.8283 5.7400 0.3899 1.5649
16 6 3.2576 -20.4033 1.8825 0.4069 1.4576
17 6 3.2172 -29.7019 36.6869 0.5186 0.9284
18 6 3.1725 -7.8383 27.6266 0.7423 0.3472
19 6 3.1261 -25.0313 54.7255 0.8980 0.1136
20 6 3.0783 -28.0936 64.6596 2.0779 -0.5187
21 6 3.0291 -28.5926 73.0596 -4.5464 -1.2200
22 6 2.9787 -28.3503 78.6782 -1.3580 -1.7364
23 6 2.9272 -20.3379 82.7073 -1.4318 -1.6984
24 6 2.8748 -33.2494 80.8381 -1.0531 -1.9496
25 6 2.8216 -34.5406 28.2670 2.5175 -0.6028
26 6 2.7676 -19.5131 26.6319 6.9350 -0.8558
27 6 2.7132 -13.7598 26.0882 9.8530 -0.8985
28 6 2.6584 -10.0309 25.5464 11.8165 -0.9154
29 6 2.6033 -4.7089 0.8240 0.7917 0.2632
30 6 2.5481 0.0000 0.0000 1.0000 0.0000
31 6 2.4930 0.0000 0.0000 1.0000 0.0000
32 6 2.4382 0.0000 0.0000 1.0000 0.0000
33 6 2.3838 0.0000 0.0000 1.0000 0.0000
34 6 2.3300 0.0000 0.0000 1.0000 0.0000
35 6 2.2770 0.0000 0.0000 1.0000 0.0000
36 6 2.2251 -3.4071 0.0000 0.9569 0.0451
37 6 2.1746 -9.9053 1.0693 0.9458 0.0573
38 6 2.1256 -23.8057 1.5956 0.8037 0.2442
39 6 2.0785 -99.2387 92.6644 2.5153 -0.6024
40 6 2.0336 32.9036 27.3568 0.6360 0.5723
41 6 1.9913 11.3099 17.3031 0.6000 0.6667
42 6 1.9520 20.2809 9.3407 0.5916 0.6905
43 6 1.9160 10.4702 14.6015 0.7440 0.3440
44 6 1.8837 17.0773 9.3526 0.5716 0.7494
45 6 1.8555 20.0226 36.9082 1.5375 -0.3496
46 6 1.8319 12.4577 31.9637 0.9406 0.0631
47 6 1.8131 11.2877 34.8686 1.9274 -0.4812
48 6 1.7994 -1.4124 13.0271 0.4712 1.1224
49 6 1.7912 0.2323 25.6325 0.6078 0.6452
50 6 1.7926 -16.9817 64.2827 -3.3781 -1.2960
51 6 1.8054 -8.6460 36.8556 0.3993 1.5042
52 6 1.8275 60.6263 108.5639 -0.6180 -2.6182
53 6 1.8601 45.1336 1.2362 0.5195 0.9250
54 6 1.9045 23.3337 0.3920 0.6428 0.5558
55 6 1.9621 23.6559 0.8875 0.7289 0.3720
56 6 2.0343 26.0614 0.0955 0.7611 0.3140
57 6 2.1220 25.0291 0.0222 0.8198 0.2198
58 6 2.2259 22.3940 0.8422 0.8784 0.1384
59 6 2.3459 23.5223 0.0118 0.8865 0.1281
60 6 2.4819 21.5208 0.3919 0.9537 0.0486
61 6 2.6327 19.6648 0.0969 0.9869 0.0132
62 6 2.6292 0.0000 0.0000 1.0000 0.0000
63 6 2.6071 17.2422 0.0954 0.9923 0.0078
64 6 2.5761 18.1067 0.0597 0.9921 0.0080
65 6 2.5369 18.7338 0.0563 0.9912 0.0089
66 6 2.4899 19.6554 0.0761 0.9902 0.0099
67 6 2.4358 21.1477 0.1206 0.9851 0.0151
68 6 2.3752 22.8564 2.7475 1.0500 -0.0476
69 6 2.3086 23.8374 3.1386 1.0757 -0.0704
70 6 2.2368 25.2947 0.9608 0.9508 0.0518
71 6 2.1605 26.2094 0.0758 0.9345 0.0700
72 6 2.0806 27.8403 2.8392 1.0428 -0.0411
73 6 1.9977 32.7246 0.3952 0.9326 0.0723
74 6 1.9128 38.7772 1.3193 0.8867 0.1278
75 6 1.8267 43.7543 0.4147 0.8432 0.1860
76 6 1.7400 45.3096 2.4208 0.8937 0.1189
77 6 1.6536 49.2053 0.1698 0.8332 0.2002
78 6 1.5681 53.0204 4.0774 1.0333 -0.0322
79 6 1.4842 56.9675 0.0991 0.8056 0.2413
80 6 1.4026 61.5376 2.4515 0.8433 0.1857
81 6 1.3237 66.2781 1.9047 0.7718 0.2957
82 6 1.2480 78.5423 28.6167 1.1082 -0.0976
83 6 1.1760 72.9287 14.4894 0.8976 0.1140
84 6 1.1080 79.2590 16.6523 1.4630 -0.3165
85 6 1.0442 79.0732 23.3392 1.2111 -0.1743
86 6 0.9848 60.2248 31.4805 0.6787 0.4735
87 6 0.9301 80.5079 33.4314 0.5531 0.8079
88 6 0.8800 63.8826 15.1904 0.4903 1.0396
89 6 0.8346 79.2401 57.0525 1.6958 -0.4103
90 6 0.7938 63.4106 41.7987 1.4974 -0.3322
91 6 0.7576 69.4710 40.8760 0.7662 0.3051
92 6 0.7260 47.7768 56.8362 0.5166 0.9357
93 6 0.6988 34.0625 92.8003 37.6151 -0.9734
94 6 0.6759 6.1532 26.9659 0.3631 1.7538
95 6 0.6574 17.5967 37.1910 0.5200 0.9232
96 6 0.6430 1.7843 62.6563 -3.1985 -1.3126
97 6 0.6327 -4.5815 37.6740 1.4143 -0.2929
98 6 0.6266 -0.8846 19.0510 0.9043 0.1058
===================================================================
Memory usage: VmHWM = 81Mb
VmPeak = 409Mb
===================================================================
Unfolding on the coarse grid
elphon_wrap : 172.16s CPU 173.65s WALL ( 1 calls)
INITIALIZATION:
set_drhoc : 7.43s CPU 7.45s WALL ( 28 calls)
init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
init_us_1 : 0.04s CPU 0.04s WALL ( 2 calls)
Electron-Phonon interpolation
ephwann : 1.28s CPU 1.44s WALL ( 1 calls)
ep-interp : 1.03s CPU 1.15s WALL ( 98 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls)
ep: step 2 : 0.04s CPU 0.04s WALL ( 162 calls)
DynW2B : 0.00s CPU 0.00s WALL ( 98 calls)
HamW2B : 0.34s CPU 0.36s WALL ( 20411 calls)
ephW2Bp : 0.17s CPU 0.24s WALL ( 98 calls)
ephW2B : 0.16s CPU 0.16s WALL ( 5466 calls)
Total program execution
EPW : 3m 8.23s CPU 3m 9.94s WALL
Please consider citing:
S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
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