quantum-espresso/test-suite/epw_wfpt/benchmark.out.git.inp=epw23...

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Lee, H., Poncé, S., Bushick, K., Hajinazar, S., Lafuente-Bartolome, J.,Leveillee, J.,
Lian, C., Lihm, J., Macheda, F., Mori, H., Paudyal, H., Sio, W., Tiwari, S.,
Zacharias, M., Zhang, X., Bonini, N., Kioupakis, E., Margine, E.R., and Giustino F.,
npj Comput Mater 9, 156 (2023)
Program EPW v.5.9 starts on 11Sep2024 at 23:55:47
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);
"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 4 processors
MPI processes distributed on 1 nodes
K-points division: npool = 4
161046 MiB available memory on the printing compute node when the environment starts
Reading input from epw23.in
Reading supplied temperature list.
------------------------------------------------------------------------
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
Exchange-correlation= not set
( -1 -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 0.02s WALL
EPW : 0.00s CPU 0.02s WALL
-------------------------------------------------------------------
Using BAs.ukk from disk
-------------------------------------------------------------------
Symmetries of Bravais lattice: 48
Symmetries of crystal: 24
Do not need to read .epb files; read .fmt files
Band disentanglement is used: nbndsub = 8
Computes the analytic long-range interaction for polar materials [lpolar]
Construct the Wigner-Seitz cell using Wannier centers and atomic positions
Number of WS vectors for electrons 25
Number of WS vectors for phonons 25
Number of WS vectors for electron-phonon 25
Maximum number of cores for efficient parallelization 50
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
Reading interatomic force constants
Read Z* and epsilon
IFC last -0.0054936
Imposed simple ASR
Finished reading ifcs
EP vertexes are distributed into MPI processes
Finished reading Wann rep data from file
===================================================================
Memory usage: VmHWM = 160Mb
VmPeak = 911Mb
===================================================================
Using uniform q-mesh: 5 5 5
Size of q point mesh for interpolation: 125
Using k-mesh file: kpath.GammaX.txt
WARNING: k-point weigths do not add up to 1 [loadkmesh_para]
Size of k point mesh for interpolation: 12
Max number of k points per pool: 4
Fermi energy coarse grid = 8.071856 eV
===================================================================
Fermi energy is read from the input file: Ef = 8.700000 eV
===================================================================
ibndmin = 1 ebndmin = -7.012 eV
ibndmax = 8 ebndmax = 18.992 eV
Number of ep-matrix elements per pool : 768 ~= 6.00 Kb (@ 8 bytes/ DP)
A selecq.fmt file was found but re-created because selecqread == .FALSE.
Number selected, total 100 100
We only need to compute 125 q-points
nrr_g_3 = 3
Lorentzian Broadening: 0.050000 eV, ngauss= 1
===================================================================
Electron (Imaginary) Self-Energy in the Migdal Approximation
===================================================================
===================================================================
Electron Spectral Function in the Migdal Approximation
===================================================================
The sum rule to conserve the number of electron is NOT enforced.
The Debye-Waller and upper Fan term are calculated using WFPT.
Golden Rule strictly enforced with T = 0.000000 eV
Golden Rule strictly enforced with T = 0.051704 eV
Progression iq (fine) = 100/ 125
===================================================================
Electron Self-Energy using the Allen-Heine-Cardona Theory
- Static part
===================================================================
AHC active state window: -100.000 eV to 13.000 eV
Average over degenerate eigenstates is performed
Electron Self-Energy using Wannier function perturbation theory
Temperature: 0.000K
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.0000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.711620 eV Re[Sigma]= -0.28792788937523E+02 meV Im[Sigma]= 0.56675211596676E+00 meV Z= 0.98885638601993E+00 lam= 0.11269193522552E-01
E( 2 )= -0.628144 eV Re[Sigma]= 0.56711343506974E+02 meV Im[Sigma]= 0.17656009192381E+01 meV Z= 0.96599428525039E+00 lam= 0.35202811516421E-01
E( 3 )= -0.628144 eV Re[Sigma]= 0.56711343506974E+02 meV Im[Sigma]= 0.17656009192381E+01 meV Z= 0.96599428525039E+00 lam= 0.35202811516421E-01
E( 4 )= -0.628144 eV Re[Sigma]= 0.56711343506974E+02 meV Im[Sigma]= 0.17656009192381E+01 meV Z= 0.96599428525039E+00 lam= 0.35202811516421E-01
E( 5 )= 2.581173 eV Re[Sigma]= 0.51575467313200E+02 meV Im[Sigma]= 0.19799734244399E+02 meV Z= 0.72981756439118E+00 lam= 0.37020544419784E+00
E( 6 )= 2.581173 eV Re[Sigma]= 0.51575467313200E+02 meV Im[Sigma]= 0.19799734244399E+02 meV Z= 0.72981756439118E+00 lam= 0.37020544419784E+00
E( 7 )= 2.581173 eV Re[Sigma]= 0.51575467313200E+02 meV Im[Sigma]= 0.19799734244399E+02 meV Z= 0.72981756439118E+00 lam= 0.37020544419784E+00
E( 8 )= 4.158319 eV Re[Sigma]= -0.41408930312330E+02 meV Im[Sigma]= 0.18793977045035E+02 meV Z= 0.11110518001963E+01 lam= -0.99951955594413E-01
-------------------------------------------------------------------
ik = 2 coord.: 0.1000000 0.1000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.506602 eV Re[Sigma]= -0.31282865510001E+02 meV Im[Sigma]= 0.30329775126112E+01 meV Z= 0.99849737162260E+00 lam= 0.15048896673140E-02
E( 2 )= -1.577813 eV Re[Sigma]= 0.37944828923356E+02 meV Im[Sigma]= 0.17147040481885E+02 meV Z= 0.83745440670097E+00 lam= 0.19409485698374E+00
E( 3 )= -1.391625 eV Re[Sigma]= 0.73676063761607E+02 meV Im[Sigma]= 0.10104588685208E+02 meV Z= 0.88047705150587E+00 lam= 0.13574794287905E+00
E( 4 )= -1.391625 eV Re[Sigma]= 0.73676063761607E+02 meV Im[Sigma]= 0.10104588685208E+02 meV Z= 0.88047705150587E+00 lam= 0.13574794287905E+00
E( 5 )= 2.127448 eV Re[Sigma]= -0.11116718541663E+03 meV Im[Sigma]= 0.19841623649919E+03 meV Z= -0.16195447472829E+01 lam= -0.16174574686360E+01
E( 6 )= 3.663894 eV Re[Sigma]= -0.10944089943288E+02 meV Im[Sigma]= 0.85807452598339E+02 meV Z= 0.18822487192220E+01 lam= -0.46872058416735E+00
E( 7 )= 3.663894 eV Re[Sigma]= -0.10944089943288E+02 meV Im[Sigma]= 0.85807452598339E+02 meV Z= 0.18822487192220E+01 lam= -0.46872058416735E+00
E( 8 )= 4.360972 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.41057413649406E+01 meV Z= 0.93960823487609E+00 lam= 0.64273345935364E-01
-------------------------------------------------------------------
ik = 3 coord.: 0.2000000 0.2000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.883639 eV Re[Sigma]= -0.22769677034777E+02 meV Im[Sigma]= 0.10487335752949E+02 meV Z= 0.10366720941069E+01 lam= -0.35374825188591E-01
E( 2 )= -3.628993 eV Re[Sigma]= -0.38044671334486E+01 meV Im[Sigma]= 0.40983564242892E+02 meV Z= 0.66861077708179E+00 lam= 0.49563847050835E+00
E( 3 )= -2.619699 eV Re[Sigma]= 0.53367469455229E+02 meV Im[Sigma]= 0.33447011436825E+02 meV Z= 0.75086691438244E+00 lam= 0.33179393158169E+00
E( 4 )= -2.619699 eV Re[Sigma]= 0.53367469455229E+02 meV Im[Sigma]= 0.33447011436825E+02 meV Z= 0.75086691438244E+00 lam= 0.33179393158169E+00
E( 5 )= 1.098598 eV Re[Sigma]= -0.12240735877307E+03 meV Im[Sigma]= 0.26414619904209E+02 meV Z= 0.77303793347560E+00 lam= 0.29359758001005E+00
E( 6 )= 4.291173 eV Re[Sigma]= -0.67413975308033E+02 meV Im[Sigma]= 0.14482154988798E+02 meV Z= 0.83390387354761E+00 lam= 0.19917898419848E+00
E( 7 )= 5.767733 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.67783725076546E+00 meV Z= 0.98663965614137E+00 lam= 0.13541259745107E-01
E( 8 )= 5.767733 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.67783725076546E+00 meV Z= 0.98663965614137E+00 lam= 0.13541259745107E-01
-------------------------------------------------------------------
ik = 4 coord.: 0.3000000 0.3000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -13.861209 eV Re[Sigma]= -0.38318711400872E+02 meV Im[Sigma]= 0.12573248407759E+02 meV Z= 0.86480860789065E+00 lam= 0.15632521563250E+00
E( 2 )= -5.883618 eV Re[Sigma]= -0.17106319848154E+02 meV Im[Sigma]= 0.87381021602395E+02 meV Z= 0.76959801084061E+00 lam= 0.29937965783946E+00
E( 3 )= -3.663748 eV Re[Sigma]= -0.22119586702858E+02 meV Im[Sigma]= 0.36739631579482E+02 meV Z= 0.75333109963780E+00 lam= 0.32743756428057E+00
E( 4 )= -3.663748 eV Re[Sigma]= -0.22119586702858E+02 meV Im[Sigma]= 0.36739631579482E+02 meV Z= 0.75333109963780E+00 lam= 0.32743756428057E+00
E( 5 )= 0.192709 eV Re[Sigma]= -0.54928325229625E+02 meV Im[Sigma]= 0.48444521517777E+01 meV Z= 0.93905397799900E+00 lam= 0.64901510913006E-01
E( 6 )= 3.465814 eV Re[Sigma]= -0.72384172739914E+02 meV Im[Sigma]= 0.34814084923170E+02 meV Z= 0.89224646501224E+00 lam= 0.12076655858343E+00
E( 7 )= 7.974254 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.17676710938368E+00 meV Z= 0.99647779779977E+00 lam= 0.35346519591393E-02
E( 8 )= 7.974254 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.17676710938368E+00 meV Z= 0.99647779779977E+00 lam= 0.35346519591393E-02
-------------------------------------------------------------------
ik = 5 coord.: 0.4000000 0.4000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -12.591641 eV Re[Sigma]= 0.28622247615407E+02 meV Im[Sigma]= 0.62040466033164E+02 meV Z= 0.10158733919986E+01 lam= -0.15625364463347E-01
E( 2 )= -7.883652 eV Re[Sigma]= -0.45107716333466E+02 meV Im[Sigma]= 0.42885560737331E+02 meV Z= 0.75813382217466E+00 lam= 0.31902834400866E+00
E( 3 )= -4.343054 eV Re[Sigma]= -0.43499909129691E+02 meV Im[Sigma]= 0.84064199624038E+02 meV Z= 0.82227556235125E+00 lam= 0.21613732158178E+00
E( 4 )= -4.343054 eV Re[Sigma]= -0.43499909129691E+02 meV Im[Sigma]= 0.84064199624038E+02 meV Z= 0.82227556235125E+00 lam= 0.21613732158178E+00
E( 5 )= 0.019526 eV Re[Sigma]= -0.51228202816664E+02 meV Im[Sigma]= 0.14311921769959E+02 meV Z= 0.92249916152183E+00 lam= 0.84011825387809E-01
E( 6 )= 2.101380 eV Re[Sigma]= -0.10686054068361E+03 meV Im[Sigma]= 0.12306608477457E+03 meV Z= 0.27665221874273E+01 lam= -0.63853534067264E+00
E( 7 )= 9.658716 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.11610988888499E+00 meV Z= 0.99768343727931E+00 lam= 0.23219416441385E-02
E( 8 )= 9.658716 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.11610988888499E+00 meV Z= 0.99768343727931E+00 lam= 0.23219416441385E-02
-------------------------------------------------------------------
ik = 6 coord.: 0.5000000 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -11.768897 eV Re[Sigma]= 0.11890419603519E+02 meV Im[Sigma]= 0.18616034590938E+02 meV Z= 0.97496380892485E+00 lam= 0.25679097876218E-01
E( 2 )= -8.935184 eV Re[Sigma]= -0.11120316127648E+02 meV Im[Sigma]= 0.80202283051447E+01 meV Z= 0.89074798428867E+00 lam= 0.12265199319937E+00
E( 3 )= -4.577183 eV Re[Sigma]= -0.94167085109755E+02 meV Im[Sigma]= 0.10247237312261E+03 meV Z= 0.13047427482432E+01 lam= -0.23356538954020E+00
E( 4 )= -4.577183 eV Re[Sigma]= -0.94167085109755E+02 meV Im[Sigma]= 0.10247237312261E+03 meV Z= 0.13047427482432E+01 lam= -0.23356538954020E+00
E( 5 )= 0.741993 eV Re[Sigma]= -0.39657468684763E+02 meV Im[Sigma]= 0.30453290081762E+01 meV Z= 0.94688947931097E+00 lam= 0.56089461177328E-01
E( 6 )= 0.771914 eV Re[Sigma]= -0.80689587431389E+02 meV Im[Sigma]= 0.73535347037065E+01 meV Z= 0.89639525866244E+00 lam= 0.11557930537490E+00
E( 7 )= 10.292053 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.91806232218555E-01 meV Z= 0.99816740049539E+00 lam= 0.18359640914931E-02
E( 8 )= 10.292053 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.91806232218555E-01 meV Z= 0.99816740049539E+00 lam= 0.18359640914931E-02
-------------------------------------------------------------------
1 1 -0.15711619938700E+02 -0.28792788937523E+02 0.56675211596676E+00 0.98885638601993E+00 0.11269193522552E-01
2 1 -0.15506601608818E+02 -0.31282865510001E+02 0.30329775126112E+01 0.99849737162260E+00 0.15048896673140E-02
3 1 -0.14883639016534E+02 -0.22769677034777E+02 0.10487335752949E+02 0.10366720941069E+01 -0.35374825188591E-01
4 1 -0.13861208513993E+02 -0.38318711400872E+02 0.12573248407759E+02 0.86480860789065E+00 0.15632521563250E+00
5 1 -0.12591641126600E+02 0.28622247615407E+02 0.62040466033164E+02 0.10158733919986E+01 -0.15625364463347E-01
6 1 -0.11768896727179E+02 0.11890419603519E+02 0.18616034590938E+02 0.97496380892485E+00 0.25679097876218E-01
1 2 -0.62814423500993E+00 0.56711343506974E+02 0.17656009192381E+01 0.96599428525039E+00 0.35202811516421E-01
2 2 -0.15778126788908E+01 0.37944828923356E+02 0.17147040481885E+02 0.83745440670097E+00 0.19409485698374E+00
3 2 -0.36289934002837E+01 -0.38044671334486E+01 0.40983564242892E+02 0.66861077708179E+00 0.49563847050835E+00
4 2 -0.58836175831960E+01 -0.17106319848154E+02 0.87381021602395E+02 0.76959801084061E+00 0.29937965783946E+00
5 2 -0.78836520032120E+01 -0.45107716333466E+02 0.42885560737331E+02 0.75813382217466E+00 0.31902834400866E+00
6 2 -0.89351839666953E+01 -0.11120316127648E+02 0.80202283051447E+01 0.89074798428867E+00 0.12265199319937E+00
1 3 -0.62814423500989E+00 0.56711343506974E+02 0.17656009192381E+01 0.96599428525039E+00 0.35202811516421E-01
2 3 -0.13916252565041E+01 0.73676063761607E+02 0.10104588685208E+02 0.88047705150587E+00 0.13574794287905E+00
3 3 -0.26196992382176E+01 0.53367469455229E+02 0.33447011436825E+02 0.75086691438244E+00 0.33179393158169E+00
4 3 -0.36637480354245E+01 -0.22119586702858E+02 0.36739631579482E+02 0.75333109963780E+00 0.32743756428057E+00
5 3 -0.43430543818532E+01 -0.43499909129691E+02 0.84064199624038E+02 0.82227556235125E+00 0.21613732158178E+00
6 3 -0.45771829245870E+01 -0.94167085109755E+02 0.10247237312261E+03 0.13047427482432E+01 -0.23356538954020E+00
1 4 -0.62814423500984E+00 0.56711343506974E+02 0.17656009192381E+01 0.96599428525039E+00 0.35202811516421E-01
2 4 -0.13916252544015E+01 0.73676063761607E+02 0.10104588685208E+02 0.88047705150587E+00 0.13574794287905E+00
3 4 -0.26196992329478E+01 0.53367469455229E+02 0.33447011436825E+02 0.75086691438244E+00 0.33179393158169E+00
4 4 -0.36637480287104E+01 -0.22119586702858E+02 0.36739631579482E+02 0.75333109963780E+00 0.32743756428057E+00
5 4 -0.43430543771564E+01 -0.43499909129691E+02 0.84064199624038E+02 0.82227556235125E+00 0.21613732158178E+00
6 4 -0.45771829245870E+01 -0.94167085109755E+02 0.10247237312261E+03 0.13047427482432E+01 -0.23356538954020E+00
1 5 0.25811725759214E+01 0.51575467313200E+02 0.19799734244399E+02 0.72981756439118E+00 0.37020544419784E+00
2 5 0.21274476036446E+01 -0.11116718541663E+03 0.19841623649919E+03 -0.16195447472829E+01 -0.16174574686360E+01
3 5 0.10985984118468E+01 -0.12240735877307E+03 0.26414619904209E+02 0.77303793347560E+00 0.29359758001005E+00
4 5 0.19270943105527E+00 -0.54928325229625E+02 0.48444521517777E+01 0.93905397799900E+00 0.64901510913006E-01
5 5 0.19526441874125E-01 -0.51228202816664E+02 0.14311921769959E+02 0.92249916152183E+00 0.84011825387809E-01
6 5 0.74199296350278E+00 -0.39657468684763E+02 0.30453290081762E+01 0.94688947931097E+00 0.56089461177328E-01
1 6 0.25811725759215E+01 0.51575467313200E+02 0.19799734244399E+02 0.72981756439118E+00 0.37020544419784E+00
2 6 0.36638935674455E+01 -0.10944089943288E+02 0.85807452598339E+02 0.18822487192220E+01 -0.46872058416735E+00
3 6 0.42911734505542E+01 -0.67413975308033E+02 0.14482154988798E+02 0.83390387354761E+00 0.19917898419848E+00
4 6 0.34658139172867E+01 -0.72384172739914E+02 0.34814084923170E+02 0.89224646501224E+00 0.12076655858343E+00
5 6 0.21013795366031E+01 -0.10686054068361E+03 0.12306608477457E+03 0.27665221874273E+01 -0.63853534067264E+00
6 6 0.77191442612989E+00 -0.80689587431389E+02 0.73535347037065E+01 0.89639525866244E+00 0.11557930537490E+00
1 7 0.25811725759215E+01 0.51575467313200E+02 0.19799734244399E+02 0.72981756439118E+00 0.37020544419784E+00
2 7 0.36638935678226E+01 -0.10944089943288E+02 0.85807452598339E+02 0.18822487192220E+01 -0.46872058416735E+00
3 7 0.57677325657233E+01 0.00000000000000E+00 0.67783725076546E+00 0.98663965614137E+00 0.13541259745107E-01
4 7 0.79742543046462E+01 0.00000000000000E+00 0.17676710938368E+00 0.99647779779977E+00 0.35346519591393E-02
5 7 0.96587163665154E+01 0.00000000000000E+00 0.11610988888499E+00 0.99768343727931E+00 0.23219416441385E-02
6 7 0.10292052731670E+02 0.00000000000000E+00 0.91806232218555E-01 0.99816740049539E+00 0.18359640914931E-02
1 8 0.41583186821128E+01 -0.41408930312330E+02 0.18793977045035E+02 0.11110518001963E+01 -0.99951955594413E-01
2 8 0.43609719214419E+01 0.00000000000000E+00 0.41057413649406E+01 0.93960823487609E+00 0.64273345935364E-01
3 8 0.57677325680302E+01 0.00000000000000E+00 0.67783725076546E+00 0.98663965614137E+00 0.13541259745107E-01
4 8 0.79742543084597E+01 0.00000000000000E+00 0.17676710938368E+00 0.99647779779977E+00 0.35346519591393E-02
5 8 0.96587163694112E+01 0.00000000000000E+00 0.11610988888499E+00 0.99768343727931E+00 0.23219416441385E-02
6 8 0.10292052731670E+02 0.00000000000000E+00 0.91806232218555E-01 0.99816740049539E+00 0.18359640914931E-02
Full decomposition of the Allen-Heine-Cardona self-energy into the Fan/Debye-Waller
and active-space/rest-space contributions is written to file elself_wfpt_sup.#K
Temperature: 600.000K
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.0000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.711620 eV Re[Sigma]= -0.62253649305518E+02 meV Im[Sigma]= 0.18286240181652E+01 meV Z= 0.96495475951154E+00 lam= 0.36318014023997E-01
E( 2 )= -0.628144 eV Re[Sigma]= 0.12475078715820E+03 meV Im[Sigma]= 0.46057585647851E+01 meV Z= 0.91593142644501E+00 lam= 0.91784789917391E-01
E( 3 )= -0.628144 eV Re[Sigma]= 0.12475078715820E+03 meV Im[Sigma]= 0.46057585647851E+01 meV Z= 0.91593142644501E+00 lam= 0.91784789917391E-01
E( 4 )= -0.628144 eV Re[Sigma]= 0.12475078715820E+03 meV Im[Sigma]= 0.46057585647851E+01 meV Z= 0.91593142644501E+00 lam= 0.91784789917391E-01
E( 5 )= 2.581173 eV Re[Sigma]= 0.61765314968419E+02 meV Im[Sigma]= 0.35809172322855E+02 meV Z= 0.59781996296357E+00 lam= 0.67274440793631E+00
E( 6 )= 2.581173 eV Re[Sigma]= 0.61765314968419E+02 meV Im[Sigma]= 0.35809172322855E+02 meV Z= 0.59781996296357E+00 lam= 0.67274440793631E+00
E( 7 )= 2.581173 eV Re[Sigma]= 0.61765314968419E+02 meV Im[Sigma]= 0.35809172322855E+02 meV Z= 0.59781996296357E+00 lam= 0.67274440793631E+00
E( 8 )= 4.158319 eV Re[Sigma]= -0.86275700827070E+02 meV Im[Sigma]= 0.39632960148902E+02 meV Z= 0.10992847512489E+01 lam= -0.90317591630487E-01
-------------------------------------------------------------------
ik = 2 coord.: 0.1000000 0.1000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.506602 eV Re[Sigma]= -0.72509791464025E+02 meV Im[Sigma]= 0.12308897956760E+02 meV Z= 0.10294381233596E+01 lam= -0.28596301896758E-01
E( 2 )= -1.577813 eV Re[Sigma]= 0.99849136094897E+02 meV Im[Sigma]= 0.31206169751005E+02 meV Z= 0.80003321617095E+00 lam= 0.24994810188771E+00
E( 3 )= -1.391625 eV Re[Sigma]= 0.16011794594209E+03 meV Im[Sigma]= 0.20041236283311E+02 meV Z= 0.80190325266685E+00 lam= 0.24703322585905E+00
E( 4 )= -1.391625 eV Re[Sigma]= 0.16011794594209E+03 meV Im[Sigma]= 0.20041236283311E+02 meV Z= 0.80190325266685E+00 lam= 0.24703322585905E+00
E( 5 )= 2.127448 eV Re[Sigma]= -0.14393983943237E+03 meV Im[Sigma]= 0.30344940491271E+03 meV Z= -0.10969500536296E+01 lam= -0.19116185342179E+01
E( 6 )= 3.663894 eV Re[Sigma]= -0.97126925266172E+01 meV Im[Sigma]= 0.20611441970316E+03 meV Z= 0.10038588841452E+01 lam= -0.38440504000822E-02
E( 7 )= 3.663894 eV Re[Sigma]= -0.97126925266172E+01 meV Im[Sigma]= 0.20611441970316E+03 meV Z= 0.10038588841452E+01 lam= -0.38440504000822E-02
E( 8 )= 4.360972 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.97597780343086E+01 meV Z= 0.85590961931590E+00 lam= 0.16834765894940E+00
-------------------------------------------------------------------
ik = 3 coord.: 0.2000000 0.2000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.883639 eV Re[Sigma]= -0.51477180478676E+02 meV Im[Sigma]= 0.35028693478000E+02 meV Z= 0.12002053898510E+01 lam= -0.16680927409922E+00
E( 2 )= -3.628993 eV Re[Sigma]= 0.11662232150080E+02 meV Im[Sigma]= 0.78446580027724E+02 meV Z= 0.60205682659409E+00 lam= 0.66097277836234E+00
E( 3 )= -2.619699 eV Re[Sigma]= 0.11640185983192E+03 meV Im[Sigma]= 0.63937794088646E+02 meV Z= 0.68634208251217E+00 lam= 0.45699939648137E+00
E( 4 )= -2.619699 eV Re[Sigma]= 0.11640185983192E+03 meV Im[Sigma]= 0.63937794088646E+02 meV Z= 0.68634208251217E+00 lam= 0.45699939648137E+00
E( 5 )= 1.098598 eV Re[Sigma]= -0.19961461394011E+03 meV Im[Sigma]= 0.70911326621593E+02 meV Z= 0.83062693248755E+00 lam= 0.20390991537587E+00
E( 6 )= 4.291173 eV Re[Sigma]= -0.15667028350707E+03 meV Im[Sigma]= 0.31144523847279E+02 meV Z= 0.69774477655937E+00 lam= 0.43318880139967E+00
E( 7 )= 5.767733 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.16606914610438E+01 meV Z= 0.96788780621660E+00 lam= 0.33177599280774E-01
E( 8 )= 5.767733 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.16606914610438E+01 meV Z= 0.96788780621660E+00 lam= 0.33177599280774E-01
-------------------------------------------------------------------
ik = 4 coord.: 0.3000000 0.3000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -13.861209 eV Re[Sigma]= -0.71751260730289E+02 meV Im[Sigma]= 0.29038999802558E+02 meV Z= 0.80663654065030E+00 lam= 0.23971572028439E+00
E( 2 )= -5.883618 eV Re[Sigma]= -0.47892641677104E+02 meV Im[Sigma]= 0.16510744926061E+03 meV Z= 0.77161113364390E+00 lam= 0.29598959423712E+00
E( 3 )= -3.663748 eV Re[Sigma]= 0.13821908574063E+02 meV Im[Sigma]= 0.67585077618061E+02 meV Z= 0.61877160214790E+00 lam= 0.61610519378841E+00
E( 4 )= -3.663748 eV Re[Sigma]= 0.13821908574063E+02 meV Im[Sigma]= 0.67585077618061E+02 meV Z= 0.61877160214790E+00 lam= 0.61610519378841E+00
E( 5 )= 0.192709 eV Re[Sigma]= -0.81511157013312E+02 meV Im[Sigma]= 0.86858380030971E+01 meV Z= 0.88887462190109E+00 lam= 0.12501805694625E+00
E( 6 )= 3.465814 eV Re[Sigma]= -0.21575968572221E+03 meV Im[Sigma]= 0.10153534317896E+03 meV Z= 0.68892654086986E+00 lam= 0.45153356805992E+00
E( 7 )= 7.974254 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.42359842914227E+00 meV Z= 0.99160070430104E+00 lam= 0.84704414413306E-02
E( 8 )= 7.974254 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.42359842914227E+00 meV Z= 0.99160070430104E+00 lam= 0.84704414413306E-02
-------------------------------------------------------------------
ik = 5 coord.: 0.4000000 0.4000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -12.591641 eV Re[Sigma]= -0.82846720575377E+00 meV Im[Sigma]= 0.13126390424887E+03 meV Z= 0.17185170369017E+01 lam= -0.41810294659463E+00
E( 2 )= -7.883652 eV Re[Sigma]= -0.90982091405078E+02 meV Im[Sigma]= 0.87344615824002E+02 meV Z= 0.61958243032898E+00 lam= 0.61399024738167E+00
E( 3 )= -4.343054 eV Re[Sigma]= -0.47921394830884E+02 meV Im[Sigma]= 0.17841442680993E+03 meV Z= 0.57432234761036E+00 lam= 0.74118246340370E+00
E( 4 )= -4.343054 eV Re[Sigma]= -0.47921394830884E+02 meV Im[Sigma]= 0.17841442680993E+03 meV Z= 0.57432234761036E+00 lam= 0.74118246340370E+00
E( 5 )= 0.019526 eV Re[Sigma]= -0.57758769547301E+02 meV Im[Sigma]= 0.29539180109162E+02 meV Z= 0.90221886609338E+00 lam= 0.10837850723519E+00
E( 6 )= 2.101380 eV Re[Sigma]= -0.15631362114530E+03 meV Im[Sigma]= 0.23611068798052E+03 meV Z= 0.35756405074472E+01 lam= -0.72032982680523E+00
E( 7 )= 9.658716 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.26554194714557E+00 meV Z= 0.99471774834810E+00 lam= 0.53103020034309E-02
E( 8 )= 9.658716 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.26554194714557E+00 meV Z= 0.99471774834810E+00 lam= 0.53103020034309E-02
-------------------------------------------------------------------
ik = 6 coord.: 0.5000000 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -11.768897 eV Re[Sigma]= 0.27974481342163E+02 meV Im[Sigma]= 0.38638530591890E+02 meV Z= 0.96578601930503E+00 lam= 0.35426046775447E-01
E( 2 )= -8.935184 eV Re[Sigma]= -0.34396788966525E+02 meV Im[Sigma]= 0.26341280739651E+02 meV Z= 0.89236621954338E+00 lam= 0.12061615298671E+00
E( 3 )= -4.577183 eV Re[Sigma]= -0.15119504307081E+03 meV Im[Sigma]= 0.16442347432198E+03 meV Z= 0.86097388025247E+00 lam= 0.16147542095790E+00
E( 4 )= -4.577183 eV Re[Sigma]= -0.15119504307081E+03 meV Im[Sigma]= 0.16442347432198E+03 meV Z= 0.86097388025247E+00 lam= 0.16147542095790E+00
E( 5 )= 0.741993 eV Re[Sigma]= -0.91948267502979E+02 meV Im[Sigma]= 0.84055190753091E+01 meV Z= 0.86834599733283E+00 lam= 0.15161468247859E+00
E( 6 )= 0.771914 eV Re[Sigma]= -0.15689452628001E+03 meV Im[Sigma]= 0.15380789299882E+02 meV Z= 0.79964541535278E+00 lam= 0.25055428418711E+00
E( 7 )= 10.292053 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.20497792003814E+00 meV Z= 0.99591750152880E+00 lam= 0.40992335860492E-02
E( 8 )= 10.292053 eV Re[Sigma]= 0.00000000000000E+00 meV Im[Sigma]= 0.20497792003814E+00 meV Z= 0.99591750152880E+00 lam= 0.40992335860492E-02
-------------------------------------------------------------------
1 1 -0.15711619938700E+02 -0.62253649305518E+02 0.18286240181652E+01 0.96495475951154E+00 0.36318014023997E-01
2 1 -0.15506601608818E+02 -0.72509791464025E+02 0.12308897956760E+02 0.10294381233596E+01 -0.28596301896758E-01
3 1 -0.14883639016534E+02 -0.51477180478676E+02 0.35028693478000E+02 0.12002053898510E+01 -0.16680927409922E+00
4 1 -0.13861208513993E+02 -0.71751260730289E+02 0.29038999802558E+02 0.80663654065030E+00 0.23971572028439E+00
5 1 -0.12591641126600E+02 -0.82846720575377E+00 0.13126390424887E+03 0.17185170369017E+01 -0.41810294659463E+00
6 1 -0.11768896727179E+02 0.27974481342163E+02 0.38638530591890E+02 0.96578601930503E+00 0.35426046775447E-01
1 2 -0.62814423500993E+00 0.12475078715820E+03 0.46057585647851E+01 0.91593142644501E+00 0.91784789917391E-01
2 2 -0.15778126788908E+01 0.99849136094897E+02 0.31206169751005E+02 0.80003321617095E+00 0.24994810188771E+00
3 2 -0.36289934002837E+01 0.11662232150080E+02 0.78446580027724E+02 0.60205682659409E+00 0.66097277836234E+00
4 2 -0.58836175831960E+01 -0.47892641677104E+02 0.16510744926061E+03 0.77161113364390E+00 0.29598959423712E+00
5 2 -0.78836520032120E+01 -0.90982091405078E+02 0.87344615824002E+02 0.61958243032898E+00 0.61399024738167E+00
6 2 -0.89351839666953E+01 -0.34396788966525E+02 0.26341280739651E+02 0.89236621954338E+00 0.12061615298671E+00
1 3 -0.62814423500989E+00 0.12475078715820E+03 0.46057585647851E+01 0.91593142644501E+00 0.91784789917391E-01
2 3 -0.13916252565041E+01 0.16011794594209E+03 0.20041236283311E+02 0.80190325266685E+00 0.24703322585905E+00
3 3 -0.26196992382176E+01 0.11640185983192E+03 0.63937794088646E+02 0.68634208251217E+00 0.45699939648137E+00
4 3 -0.36637480354245E+01 0.13821908574063E+02 0.67585077618061E+02 0.61877160214790E+00 0.61610519378841E+00
5 3 -0.43430543818532E+01 -0.47921394830884E+02 0.17841442680993E+03 0.57432234761036E+00 0.74118246340370E+00
6 3 -0.45771829245870E+01 -0.15119504307081E+03 0.16442347432198E+03 0.86097388025247E+00 0.16147542095790E+00
1 4 -0.62814423500984E+00 0.12475078715820E+03 0.46057585647851E+01 0.91593142644501E+00 0.91784789917391E-01
2 4 -0.13916252544015E+01 0.16011794594209E+03 0.20041236283311E+02 0.80190325266685E+00 0.24703322585905E+00
3 4 -0.26196992329478E+01 0.11640185983192E+03 0.63937794088646E+02 0.68634208251217E+00 0.45699939648137E+00
4 4 -0.36637480287104E+01 0.13821908574063E+02 0.67585077618061E+02 0.61877160214790E+00 0.61610519378841E+00
5 4 -0.43430543771564E+01 -0.47921394830884E+02 0.17841442680993E+03 0.57432234761036E+00 0.74118246340370E+00
6 4 -0.45771829245870E+01 -0.15119504307081E+03 0.16442347432198E+03 0.86097388025247E+00 0.16147542095790E+00
1 5 0.25811725759214E+01 0.61765314968419E+02 0.35809172322855E+02 0.59781996296357E+00 0.67274440793631E+00
2 5 0.21274476036446E+01 -0.14393983943237E+03 0.30344940491271E+03 -0.10969500536296E+01 -0.19116185342179E+01
3 5 0.10985984118468E+01 -0.19961461394011E+03 0.70911326621593E+02 0.83062693248755E+00 0.20390991537587E+00
4 5 0.19270943105527E+00 -0.81511157013312E+02 0.86858380030971E+01 0.88887462190109E+00 0.12501805694625E+00
5 5 0.19526441874125E-01 -0.57758769547301E+02 0.29539180109162E+02 0.90221886609338E+00 0.10837850723519E+00
6 5 0.74199296350278E+00 -0.91948267502979E+02 0.84055190753091E+01 0.86834599733283E+00 0.15161468247859E+00
1 6 0.25811725759215E+01 0.61765314968419E+02 0.35809172322855E+02 0.59781996296357E+00 0.67274440793631E+00
2 6 0.36638935674455E+01 -0.97126925266172E+01 0.20611441970316E+03 0.10038588841452E+01 -0.38440504000822E-02
3 6 0.42911734505542E+01 -0.15667028350707E+03 0.31144523847279E+02 0.69774477655937E+00 0.43318880139967E+00
4 6 0.34658139172867E+01 -0.21575968572221E+03 0.10153534317896E+03 0.68892654086986E+00 0.45153356805992E+00
5 6 0.21013795366031E+01 -0.15631362114530E+03 0.23611068798052E+03 0.35756405074472E+01 -0.72032982680523E+00
6 6 0.77191442612989E+00 -0.15689452628001E+03 0.15380789299882E+02 0.79964541535278E+00 0.25055428418711E+00
1 7 0.25811725759215E+01 0.61765314968419E+02 0.35809172322855E+02 0.59781996296357E+00 0.67274440793631E+00
2 7 0.36638935678226E+01 -0.97126925266172E+01 0.20611441970316E+03 0.10038588841452E+01 -0.38440504000822E-02
3 7 0.57677325657233E+01 0.00000000000000E+00 0.16606914610438E+01 0.96788780621660E+00 0.33177599280774E-01
4 7 0.79742543046462E+01 0.00000000000000E+00 0.42359842914227E+00 0.99160070430104E+00 0.84704414413306E-02
5 7 0.96587163665154E+01 0.00000000000000E+00 0.26554194714557E+00 0.99471774834810E+00 0.53103020034309E-02
6 7 0.10292052731670E+02 0.00000000000000E+00 0.20497792003814E+00 0.99591750152880E+00 0.40992335860492E-02
1 8 0.41583186821128E+01 -0.86275700827070E+02 0.39632960148902E+02 0.10992847512489E+01 -0.90317591630487E-01
2 8 0.43609719214419E+01 0.00000000000000E+00 0.97597780343086E+01 0.85590961931590E+00 0.16834765894940E+00
3 8 0.57677325680302E+01 0.00000000000000E+00 0.16606914610438E+01 0.96788780621660E+00 0.33177599280774E-01
4 8 0.79742543084597E+01 0.00000000000000E+00 0.42359842914227E+00 0.99160070430104E+00 0.84704414413306E-02
5 8 0.96587163694112E+01 0.00000000000000E+00 0.26554194714557E+00 0.99471774834810E+00 0.53103020034309E-02
6 8 0.10292052731670E+02 0.00000000000000E+00 0.20497792003814E+00 0.99591750152880E+00 0.40992335860492E-02
Full decomposition of the Allen-Heine-Cardona self-energy into the Fan/Debye-Waller
and active-space/rest-space contributions is written to file elself_wfpt_sup.#K
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.0000000 0.0000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 1 w = -3.0000 eV A(k,w) = 0.39721E-05 meV^-1
ik = 1 w = -2.6842 eV A(k,w) = 0.23944E-04 meV^-1
ik = 1 w = -2.3684 eV A(k,w) = 0.55561E-04 meV^-1
ik = 1 w = -2.0526 eV A(k,w) = 0.14096E-04 meV^-1
ik = 1 w = -1.7368 eV A(k,w) = 0.26862E-04 meV^-1
ik = 1 w = -1.4211 eV A(k,w) = 0.16465E-04 meV^-1
ik = 1 w = -1.1053 eV A(k,w) = 0.10436E-04 meV^-1
ik = 1 w = -0.7895 eV A(k,w) = 0.38015E-04 meV^-1
ik = 1 w = -0.4737 eV A(k,w) = 0.15484E-03 meV^-1
ik = 1 w = -0.1579 eV A(k,w) = 0.15991E-04 meV^-1
ik = 1 w = 0.1579 eV A(k,w) = 0.26559E-04 meV^-1
ik = 1 w = 0.4737 eV A(k,w) = 0.24944E-05 meV^-1
ik = 1 w = 0.7895 eV A(k,w) = 0.28361E-05 meV^-1
ik = 1 w = 1.1053 eV A(k,w) = 0.28873E-04 meV^-1
ik = 1 w = 1.4211 eV A(k,w) = 0.20330E-04 meV^-1
ik = 1 w = 1.7368 eV A(k,w) = 0.33304E-03 meV^-1
ik = 1 w = 2.0526 eV A(k,w) = 0.66347E-03 meV^-1
ik = 1 w = 2.3684 eV A(k,w) = 0.16360E-02 meV^-1
ik = 1 w = 2.6842 eV A(k,w) = 0.20236E-02 meV^-1
ik = 1 w = 3.0000 eV A(k,w) = 0.24006E-03 meV^-1
-------------------------------------------------------------------
ik = 2 coord.: 0.1000000 0.1000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 2 w = -3.0000 eV A(k,w) = 0.19326E-04 meV^-1
ik = 2 w = -2.6842 eV A(k,w) = 0.26186E-04 meV^-1
ik = 2 w = -2.3684 eV A(k,w) = 0.40530E-04 meV^-1
ik = 2 w = -2.0526 eV A(k,w) = 0.57572E-04 meV^-1
ik = 2 w = -1.7368 eV A(k,w) = 0.10341E-03 meV^-1
ik = 2 w = -1.4211 eV A(k,w) = 0.21845E-02 meV^-1
ik = 2 w = -1.1053 eV A(k,w) = 0.54060E-03 meV^-1
ik = 2 w = -0.7895 eV A(k,w) = 0.69312E-05 meV^-1
ik = 2 w = -0.4737 eV A(k,w) = 0.18460E-05 meV^-1
ik = 2 w = -0.1579 eV A(k,w) = 0.10749E-05 meV^-1
ik = 2 w = 0.1579 eV A(k,w) = 0.28385E-05 meV^-1
ik = 2 w = 0.4737 eV A(k,w) = 0.13703E-05 meV^-1
ik = 2 w = 0.7895 eV A(k,w) = 0.63948E-05 meV^-1
ik = 2 w = 1.1053 eV A(k,w) = 0.33229E-04 meV^-1
ik = 2 w = 1.4211 eV A(k,w) = 0.45575E-04 meV^-1
ik = 2 w = 1.7368 eV A(k,w) = 0.10433E-03 meV^-1
ik = 2 w = 2.0526 eV A(k,w) = 0.35553E-02 meV^-1
ik = 2 w = 2.3684 eV A(k,w) = 0.32683E-03 meV^-1
ik = 2 w = 2.6842 eV A(k,w) = 0.28415E-03 meV^-1
ik = 2 w = 3.0000 eV A(k,w) = 0.37346E-04 meV^-1
-------------------------------------------------------------------
ik = 3 coord.: 0.2000000 0.2000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 3 w = -3.0000 eV A(k,w) = 0.74240E-04 meV^-1
ik = 3 w = -2.6842 eV A(k,w) = 0.24854E-02 meV^-1
ik = 3 w = -2.3684 eV A(k,w) = 0.13318E-02 meV^-1
ik = 3 w = -2.0526 eV A(k,w) = 0.74357E-04 meV^-1
ik = 3 w = -1.7368 eV A(k,w) = 0.24778E-04 meV^-1
ik = 3 w = -1.4211 eV A(k,w) = 0.72576E-05 meV^-1
ik = 3 w = -1.1053 eV A(k,w) = 0.13290E-05 meV^-1
ik = 3 w = -0.7895 eV A(k,w) = 0.29634E-05 meV^-1
ik = 3 w = -0.4737 eV A(k,w) = 0.96989E-06 meV^-1
ik = 3 w = -0.1579 eV A(k,w) = 0.12608E-05 meV^-1
ik = 3 w = 0.1579 eV A(k,w) = 0.10930E-04 meV^-1
ik = 3 w = 0.4737 eV A(k,w) = 0.31382E-05 meV^-1
ik = 3 w = 0.7895 eV A(k,w) = 0.23585E-04 meV^-1
ik = 3 w = 1.1053 eV A(k,w) = 0.51505E-03 meV^-1
ik = 3 w = 1.4211 eV A(k,w) = 0.52265E-04 meV^-1
ik = 3 w = 1.7368 eV A(k,w) = 0.85765E-04 meV^-1
ik = 3 w = 2.0526 eV A(k,w) = 0.34765E-04 meV^-1
ik = 3 w = 2.3684 eV A(k,w) = 0.57958E-04 meV^-1
ik = 3 w = 2.6842 eV A(k,w) = 0.97248E-05 meV^-1
ik = 3 w = 3.0000 eV A(k,w) = 0.17763E-04 meV^-1
-------------------------------------------------------------------
ik = 4 coord.: 0.3000000 0.3000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 4 w = -3.0000 eV A(k,w) = 0.61501E-04 meV^-1
ik = 4 w = -2.6842 eV A(k,w) = 0.30668E-04 meV^-1
ik = 4 w = -2.3684 eV A(k,w) = 0.14666E-04 meV^-1
ik = 4 w = -2.0526 eV A(k,w) = 0.97832E-05 meV^-1
ik = 4 w = -1.7368 eV A(k,w) = 0.24738E-05 meV^-1
ik = 4 w = -1.4211 eV A(k,w) = 0.71860E-05 meV^-1
ik = 4 w = -1.1053 eV A(k,w) = 0.81636E-05 meV^-1
ik = 4 w = -0.7895 eV A(k,w) = 0.10288E-05 meV^-1
ik = 4 w = -0.4737 eV A(k,w) = 0.13076E-05 meV^-1
ik = 4 w = -0.1579 eV A(k,w) = 0.52068E-05 meV^-1
ik = 4 w = 0.1579 eV A(k,w) = 0.33018E-02 meV^-1
ik = 4 w = 0.4737 eV A(k,w) = 0.93975E-05 meV^-1
ik = 4 w = 0.7895 eV A(k,w) = 0.91262E-05 meV^-1
ik = 4 w = 1.1053 eV A(k,w) = 0.24557E-04 meV^-1
ik = 4 w = 1.4211 eV A(k,w) = 0.16165E-04 meV^-1
ik = 4 w = 1.7368 eV A(k,w) = 0.55733E-05 meV^-1
ik = 4 w = 2.0526 eV A(k,w) = 0.20438E-04 meV^-1
ik = 4 w = 2.3684 eV A(k,w) = 0.16497E-04 meV^-1
ik = 4 w = 2.6842 eV A(k,w) = 0.64082E-04 meV^-1
ik = 4 w = 3.0000 eV A(k,w) = 0.19904E-04 meV^-1
-------------------------------------------------------------------
ik = 5 coord.: 0.4000000 0.4000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 5 w = -3.0000 eV A(k,w) = 0.58681E-05 meV^-1
ik = 5 w = -2.6842 eV A(k,w) = 0.19799E-04 meV^-1
ik = 5 w = -2.3684 eV A(k,w) = 0.22376E-04 meV^-1
ik = 5 w = -2.0526 eV A(k,w) = 0.52648E-05 meV^-1
ik = 5 w = -1.7368 eV A(k,w) = 0.39140E-05 meV^-1
ik = 5 w = -1.4211 eV A(k,w) = 0.28063E-05 meV^-1
ik = 5 w = -1.1053 eV A(k,w) = 0.96921E-06 meV^-1
ik = 5 w = -0.7895 eV A(k,w) = 0.30833E-05 meV^-1
ik = 5 w = -0.4737 eV A(k,w) = 0.39625E-05 meV^-1
ik = 5 w = -0.1579 eV A(k,w) = 0.46546E-04 meV^-1
ik = 5 w = 0.1579 eV A(k,w) = 0.24630E-03 meV^-1
ik = 5 w = 0.4737 eV A(k,w) = 0.36206E-05 meV^-1
ik = 5 w = 0.7895 eV A(k,w) = 0.23262E-05 meV^-1
ik = 5 w = 1.1053 eV A(k,w) = 0.17773E-04 meV^-1
ik = 5 w = 1.4211 eV A(k,w) = 0.15093E-04 meV^-1
ik = 5 w = 1.7368 eV A(k,w) = 0.48419E-03 meV^-1
ik = 5 w = 2.0526 eV A(k,w) = 0.25292E-02 meV^-1
ik = 5 w = 2.3684 eV A(k,w) = 0.45163E-03 meV^-1
ik = 5 w = 2.6842 eV A(k,w) = 0.24257E-04 meV^-1
ik = 5 w = 3.0000 eV A(k,w) = 0.14510E-04 meV^-1
-------------------------------------------------------------------
ik = 6 coord.: 0.5000000 0.5000000 0.0000000 Temp. : 0.000
-------------------------------------------------------------------
ik = 6 w = -3.0000 eV A(k,w) = 0.94793E-05 meV^-1
ik = 6 w = -2.6842 eV A(k,w) = 0.83747E-05 meV^-1
ik = 6 w = -2.3684 eV A(k,w) = 0.55881E-05 meV^-1
ik = 6 w = -2.0526 eV A(k,w) = 0.49577E-05 meV^-1
ik = 6 w = -1.7368 eV A(k,w) = 0.13336E-05 meV^-1
ik = 6 w = -1.4211 eV A(k,w) = 0.55142E-05 meV^-1
ik = 6 w = -1.1053 eV A(k,w) = 0.56404E-05 meV^-1
ik = 6 w = -0.7895 eV A(k,w) = 0.66615E-06 meV^-1
ik = 6 w = -0.4737 eV A(k,w) = 0.64352E-06 meV^-1
ik = 6 w = -0.1579 eV A(k,w) = 0.11406E-05 meV^-1
ik = 6 w = 0.1579 eV A(k,w) = 0.69727E-05 meV^-1
ik = 6 w = 0.4737 eV A(k,w) = 0.27761E-04 meV^-1
ik = 6 w = 0.7895 eV A(k,w) = 0.43293E-03 meV^-1
ik = 6 w = 1.1053 eV A(k,w) = 0.19506E-03 meV^-1
ik = 6 w = 1.4211 eV A(k,w) = 0.63341E-04 meV^-1
ik = 6 w = 1.7368 eV A(k,w) = 0.12432E-04 meV^-1
ik = 6 w = 2.0526 eV A(k,w) = 0.24602E-04 meV^-1
ik = 6 w = 2.3684 eV A(k,w) = 0.14178E-04 meV^-1
ik = 6 w = 2.6842 eV A(k,w) = 0.24121E-04 meV^-1
ik = 6 w = 3.0000 eV A(k,w) = 0.24342E-05 meV^-1
-------------------------------------------------------------------
1 1 -15.7116 -3.0000 105.0281 25.9071
1 1 -15.7116 -2.6842 38.8642 118.4440
1 1 -15.7116 -2.3684 52.6642 142.5175
1 1 -15.7116 -2.0526 125.6793 32.8303
1 1 -15.7116 -1.7368 30.7746 26.5216
1 1 -15.7116 -1.4211 121.0430 19.0856
1 1 -15.7116 -1.1053 76.0230 3.7596
1 1 -15.7116 -0.7895 54.0549 7.7641
1 1 -15.7116 -0.4737 56.2981 2.1872
1 1 -15.7116 -0.1579 45.2359 1.8510
1 1 -15.7116 0.1579 46.4962 4.7226
1 1 -15.7116 0.4737 35.6477 1.3552
1 1 -15.7116 0.7895 26.1524 1.9502
1 1 -15.7116 1.1053 11.7083 33.9009
1 1 -15.7116 1.4211 24.4344 5.8011
1 1 -15.7116 1.7368 34.3303 69.5512
1 1 -15.7116 2.0526 14.7349 17.1331
1 1 -15.7116 2.3684 40.0798 30.9998
1 1 -15.7116 2.6842 18.0207 5.6267
1 1 -15.7116 3.0000 3.9374 28.7446
2 1 -15.5066 -3.0000 115.6837 55.6207
2 1 -15.5066 -2.6842 77.1469 50.8128
2 1 -15.5066 -2.3684 96.1517 47.3912
2 1 -15.5066 -2.0526 159.3904 41.4003
2 1 -15.5066 -1.7368 80.6299 10.4696
2 1 -15.5066 -1.4211 79.1804 24.5427
2 1 -15.5066 -1.1053 72.3366 26.4782
2 1 -15.5066 -0.7895 62.2755 2.3563
2 1 -15.5066 -0.4737 51.4596 1.3754
2 1 -15.5066 -0.1579 43.5682 1.2077
2 1 -15.5066 0.1579 34.1847 4.2435
2 1 -15.5066 0.4737 33.3284 1.5053
2 1 -15.5066 0.7895 23.9491 4.1088
2 1 -15.5066 1.1053 23.0435 11.3556
2 1 -15.5066 1.4211 41.9626 12.4835
2 1 -15.5066 1.7368 13.3025 5.6852
2 1 -15.5066 2.0526 -6.9810 48.6258
2 1 -15.5066 2.3684 14.6015 21.5691
2 1 -15.5066 2.6842 65.6191 66.6680
2 1 -15.5066 3.0000 40.6931 6.7878
3 1 -14.8836 -3.0000 103.4757 22.9971
3 1 -14.8836 -2.6842 52.8133 95.2605
3 1 -14.8836 -2.3684 43.0593 126.6638
3 1 -14.8836 -2.0526 112.5566 27.7918
3 1 -14.8836 -1.7368 32.0219 22.0160
3 1 -14.8836 -1.4211 98.9735 13.6093
3 1 -14.8836 -1.1053 64.0146 3.1455
3 1 -14.8836 -0.7895 44.1854 7.2976
3 1 -14.8836 -0.4737 50.0023 2.4967
3 1 -14.8836 -0.1579 38.5621 1.9617
3 1 -14.8836 0.1579 41.7618 4.6442
3 1 -14.8836 0.4737 31.1389 1.2577
3 1 -14.8836 0.7895 22.6556 1.6686
3 1 -14.8836 1.1053 10.0319 23.2817
3 1 -14.8836 1.4211 16.5131 5.2971
3 1 -14.8836 1.7368 35.3959 68.9698
3 1 -14.8836 2.0526 13.0352 17.4137
3 1 -14.8836 2.3684 34.0276 28.9119
3 1 -14.8836 2.6842 26.6319 12.6048
3 1 -14.8836 3.0000 14.6471 36.1454
4 1 -13.8612 -3.0000 99.2112 45.3224
4 1 -13.8612 -2.6842 67.2489 43.2399
4 1 -13.8612 -2.3684 78.4400 36.6414
4 1 -13.8612 -2.0526 127.6518 31.0275
4 1 -13.8612 -1.7368 64.5613 8.4948
4 1 -13.8612 -1.4211 66.2697 24.7639
4 1 -13.8612 -1.1053 60.0803 24.4302
4 1 -13.8612 -0.7895 50.7270 1.9656
4 1 -13.8612 -0.4737 41.6302 1.1592
4 1 -13.8612 -0.1579 35.0400 0.9832
4 1 -13.8612 0.1579 28.2867 1.7875
4 1 -13.8612 0.4737 24.2726 1.3415
4 1 -13.8612 0.7895 18.0353 6.9356
4 1 -13.8612 1.1053 13.2063 10.9296
4 1 -13.8612 1.4211 40.5287 13.6552
4 1 -13.8612 1.7368 12.5504 6.3250
4 1 -13.8612 2.0526 -4.8244 28.6549
4 1 -13.8612 2.3684 14.3610 22.8198
4 1 -13.8612 2.6842 42.0612 44.5922
4 1 -13.8612 3.0000 32.3917 6.6021
5 1 -12.5916 -3.0000 83.6391 19.2334
5 1 -12.5916 -2.6842 39.1988 80.6912
5 1 -12.5916 -2.3684 25.5776 100.2143
5 1 -12.5916 -2.0526 92.8956 24.0108
5 1 -12.5916 -1.7368 25.8801 17.5873
5 1 -12.5916 -1.4211 77.9254 10.2192
5 1 -12.5916 -1.1053 50.3546 2.5604
5 1 -12.5916 -0.7895 33.6375 6.1995
5 1 -12.5916 -0.4737 39.4860 2.1070
5 1 -12.5916 -0.1579 29.8146 1.6178
5 1 -12.5916 0.1579 33.1333 5.4617
5 1 -12.5916 0.4737 23.1609 1.1724
5 1 -12.5916 0.7895 15.0803 1.6303
5 1 -12.5916 1.1053 -1.4057 20.2613
5 1 -12.5916 1.4211 14.4613 5.9898
5 1 -12.5916 1.7368 18.4358 63.3575
5 1 -12.5916 2.0526 6.2229 21.5340
5 1 -12.5916 2.3684 39.6799 36.3210
5 1 -12.5916 2.6842 21.4609 10.4103
5 1 -12.5916 3.0000 22.4879 21.2120
6 1 -11.7689 -3.0000 75.7759 42.1502
6 1 -11.7689 -2.6842 60.3088 39.2791
6 1 -11.7689 -2.3684 69.3585 29.2548
6 1 -11.7689 -2.0526 106.7298 25.8349
6 1 -11.7689 -1.7368 54.7590 5.5009
6 1 -11.7689 -1.4211 61.2559 24.2991
6 1 -11.7689 -1.1053 57.0715 31.7417
6 1 -11.7689 -0.7895 44.8719 1.9285
6 1 -11.7689 -0.4737 36.1292 1.1045
6 1 -11.7689 -0.1579 29.7021 1.0160
6 1 -11.7689 0.1579 20.9942 4.5653
6 1 -11.7689 0.4737 23.0313 1.5012
6 1 -11.7689 0.7895 13.1740 3.6112
6 1 -11.7689 1.1053 13.9947 14.6428
6 1 -11.7689 1.4211 39.2122 14.9792
6 1 -11.7689 1.7368 12.1352 4.4363
6 1 -11.7689 2.0526 -0.3939 22.4054
6 1 -11.7689 2.3684 20.0552 21.2168
6 1 -11.7689 2.6842 38.6583 35.5636
6 1 -11.7689 3.0000 24.6452 6.2609
1 2 -0.6281 -3.0000 93.0322 22.0519
1 2 -0.6281 -2.6842 78.6630 104.6954
1 2 -0.6281 -2.3684 58.2019 180.8511
1 2 -0.6281 -2.0526 128.8878 32.5140
1 2 -0.6281 -1.7368 21.8054 35.0366
1 2 -0.6281 -1.4211 116.4219 13.5572
1 2 -0.6281 -1.1053 78.3975 3.3159
1 2 -0.6281 -0.7895 62.6997 1.9874
1 2 -0.6281 -0.4737 51.3916 1.7211
1 2 -0.6281 -0.1579 38.6351 3.0321
1 2 -0.6281 0.1579 54.7945 12.7248
1 2 -0.6281 0.4737 34.4344 2.1771
1 2 -0.6281 0.7895 19.5393 3.0287
1 2 -0.6281 1.1053 -7.8188 35.0344
1 2 -0.6281 1.4211 19.6858 11.6838
1 2 -0.6281 1.7368 8.9783 115.5417
1 2 -0.6281 2.0526 -23.9051 64.3501
1 2 -0.6281 2.3684 120.1749 96.8100
1 2 -0.6281 2.6842 42.6104 13.0781
1 2 -0.6281 3.0000 31.0843 95.9707
2 2 -1.5778 -3.0000 68.7331 58.5640
2 2 -1.5778 -2.6842 55.9117 44.0715
2 2 -1.5778 -2.3684 75.8332 37.6798
2 2 -1.5778 -2.0526 125.2023 27.2761
2 2 -1.5778 -1.7368 61.9528 6.9953
2 2 -1.5778 -1.4211 79.1233 31.2156
2 2 -1.5778 -1.1053 85.7751 51.5698
2 2 -1.5778 -0.7895 55.7221 2.8568
2 2 -1.5778 -0.4737 43.0116 1.5757
2 2 -1.5778 -0.1579 34.0236 1.3691
2 2 -1.5778 0.1579 23.9166 2.7074
2 2 -1.5778 0.4737 21.1669 2.2905
2 2 -1.5778 0.7895 4.2078 7.6996
2 2 -1.5778 1.1053 13.5268 22.3406
2 2 -1.5778 1.4211 41.0246 22.3400
2 2 -1.5778 1.7368 -7.1119 10.0392
2 2 -1.5778 2.0526 -18.6274 60.8567
2 2 -1.5778 2.3684 3.1596 41.4140
2 2 -1.5778 2.6842 88.1060 84.5369
2 2 -1.5778 3.0000 53.5318 10.4590
3 2 -3.6290 -3.0000 74.5104 18.3714
3 2 -3.6290 -2.6842 57.2385 88.1366
3 2 -3.6290 -2.3684 37.4691 138.6410
3 2 -3.6290 -2.0526 98.4250 25.3274
3 2 -3.6290 -1.7368 14.9812 26.1169
3 2 -3.6290 -1.4211 86.9746 11.2546
3 2 -3.6290 -1.1053 54.8692 3.0969
3 2 -3.6290 -0.7895 32.6384 10.4231
3 2 -3.6290 -0.4737 44.3732 2.5646
3 2 -3.6290 -0.1579 32.5239 2.0172
3 2 -3.6290 0.1579 38.4323 7.4793
3 2 -3.6290 0.4737 25.9952 1.3730
3 2 -3.6290 0.7895 16.9441 1.7396
3 2 -3.6290 1.1053 -0.5499 15.6776
3 2 -3.6290 1.4211 13.7593 6.3782
3 2 -3.6290 1.7368 2.6765 67.0614
3 2 -3.6290 2.0526 -7.2361 38.7290
3 2 -3.6290 2.3684 60.2397 50.1994
3 2 -3.6290 2.6842 24.7955 10.7369
3 2 -3.6290 3.0000 16.2983 37.4606
4 2 -5.8836 -3.0000 59.1861 38.3724
4 2 -5.8836 -2.6842 52.1734 32.8440
4 2 -5.8836 -2.3684 62.8873 27.8379
4 2 -5.8836 -2.0526 99.6945 19.4146
4 2 -5.8836 -1.7368 54.1257 4.8325
4 2 -5.8836 -1.4211 63.1242 24.0384
4 2 -5.8836 -1.1053 64.5174 36.6697
4 2 -5.8836 -0.7895 47.5339 2.0159
4 2 -5.8836 -0.4737 38.6549 1.0865
4 2 -5.8836 -0.1579 32.5788 0.8991
4 2 -5.8836 0.1579 26.3533 1.4824
4 2 -5.8836 0.4737 23.6125 1.3133
4 2 -5.8836 0.7895 14.0423 5.0890
4 2 -5.8836 1.1053 18.6199 12.3184
4 2 -5.8836 1.4211 34.8066 13.2420
4 2 -5.8836 1.7368 8.0258 6.2142
4 2 -5.8836 2.0526 0.2190 29.3352
4 2 -5.8836 2.3684 15.5617 23.2640
4 2 -5.8836 2.6842 51.7616 43.2226
4 2 -5.8836 3.0000 37.0130 5.5489
5 2 -7.8837 -3.0000 66.4387 13.7815
5 2 -7.8837 -2.6842 48.7332 68.0777
5 2 -7.8837 -2.3684 36.6831 90.9902
5 2 -7.8837 -2.0526 77.8630 18.0137
5 2 -7.8837 -1.7368 22.5719 15.7443
5 2 -7.8837 -1.4211 67.3088 7.9120
5 2 -7.8837 -1.1053 45.1053 2.1195
5 2 -7.8837 -0.7895 30.7795 5.5772
5 2 -7.8837 -0.4737 36.4164 1.8505
5 2 -7.8837 -0.1579 27.5200 1.6326
5 2 -7.8837 0.1579 33.5693 5.6968
5 2 -7.8837 0.4737 23.3931 1.1066
5 2 -7.8837 0.7895 15.9639 1.4631
5 2 -7.8837 1.1053 -1.0104 12.5485
5 2 -7.8837 1.4211 18.4360 5.8785
5 2 -7.8837 1.7368 7.1942 53.9843
5 2 -7.8837 2.0526 -2.1461 30.8769
5 2 -7.8837 2.3684 55.9623 42.6235
5 2 -7.8837 2.6842 28.1056 8.3475
5 2 -7.8837 3.0000 20.8405 21.8200
6 2 -8.9352 -3.0000 65.1372 28.5557
6 2 -8.9352 -2.6842 48.0108 24.0139
6 2 -8.9352 -2.3684 54.5926 22.2710
6 2 -8.9352 -2.0526 85.1099 16.0249
6 2 -8.9352 -1.7368 47.9296 4.1813
6 2 -8.9352 -1.4211 51.3192 19.4006
6 2 -8.9352 -1.1053 47.1212 24.2236
6 2 -8.9352 -0.7895 39.5504 1.5478
6 2 -8.9352 -0.4737 32.5151 0.8914
6 2 -8.9352 -0.1579 27.4043 0.7719
6 2 -8.9352 0.1579 22.1222 1.4861
6 2 -8.9352 0.4737 17.9272 1.0645
6 2 -8.9352 0.7895 8.8110 2.3572
6 2 -8.9352 1.1053 10.5885 16.3931
6 2 -8.9352 1.4211 37.9089 14.2222
6 2 -8.9352 1.7368 6.6698 14.2151
6 2 -8.9352 2.0526 5.0652 30.9704
6 2 -8.9352 2.3684 22.2756 22.7861
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1 6 2.5812 2.3684 69.3634 210.7636
1 6 2.5812 2.6842 18.4892 15.6531
1 6 2.5812 3.0000 3.2690 41.4327
2 6 3.6639 -3.0000 3.8077 33.8735
2 6 3.6639 -2.6842 -24.7655 24.2411
2 6 3.6639 -2.3684 -14.4140 28.3640
2 6 3.6639 -2.0526 20.2822 25.7327
2 6 3.6639 -1.7368 -24.3735 5.3825
2 6 3.6639 -1.4211 -27.5123 9.3298
2 6 3.6639 -1.1053 -39.1882 13.6191
2 6 3.6639 -0.7895 -40.3564 1.6842
2 6 3.6639 -0.4737 -48.9691 1.2553
2 6 3.6639 -0.1579 -57.3203 1.4968
2 6 3.6639 0.1579 -71.4240 5.6184
2 6 3.6639 0.4737 -69.6872 3.7543
2 6 3.6639 0.7895 -97.1984 15.4313
2 6 3.6639 1.1053 -82.5863 47.9646
2 6 3.6639 1.4211 2.1587 60.5480
2 6 3.6639 1.7368 -105.8280 27.4414
2 6 3.6639 2.0526 -125.0787 81.7968
2 6 3.6639 2.3684 -36.5423 93.2247
2 6 3.6639 2.6842 30.8489 120.7073
2 6 3.6639 3.0000 18.8701 20.0755
3 6 4.2912 -3.0000 -105.6799 9.3977
3 6 4.2912 -2.6842 -133.0439 23.8003
3 6 4.2912 -2.3684 -153.3000 40.1187
3 6 4.2912 -2.0526 -96.0766 20.5541
3 6 4.2912 -1.7368 -141.5842 10.8536
3 6 4.2912 -1.4211 -88.9165 12.8767
3 6 4.2912 -1.1053 -116.1084 2.1531
3 6 4.2912 -0.7895 -129.6694 4.3778
3 6 4.2912 -0.4737 -120.7851 2.6081
3 6 4.2912 -0.1579 -130.5486 1.5856
3 6 4.2912 0.1579 -124.6415 6.1609
3 6 4.2912 0.4737 -134.9274 1.1494
3 6 4.2912 0.7895 -142.9855 1.6652
3 6 4.2912 1.1053 -159.8788 20.1541
3 6 4.2912 1.4211 -142.2416 7.0963
3 6 4.2912 1.7368 -160.8699 71.9385
3 6 4.2912 2.0526 -163.6698 32.3267
3 6 4.2912 2.3684 -105.9285 59.5205
3 6 4.2912 2.6842 -121.9118 15.1185
3 6 4.2912 3.0000 -139.5098 30.9425
4 6 3.4658 -3.0000 -64.6744 17.8622
4 6 3.4658 -2.6842 -59.0625 45.0178
4 6 3.4658 -2.3684 -35.8603 27.4204
4 6 3.4658 -2.0526 -13.3960 24.2963
4 6 3.4658 -1.7368 -56.1441 4.0331
4 6 3.4658 -1.4211 -68.0887 38.4881
4 6 3.4658 -1.1053 -65.5807 24.5766
4 6 3.4658 -0.7895 -60.3433 1.9769
4 6 3.4658 -0.4737 -68.8158 1.0449
4 6 3.4658 -0.1579 -74.8582 0.9318
4 6 3.4658 0.1579 -81.4908 1.6423
4 6 3.4658 0.4737 -86.6994 1.5812
4 6 3.4658 0.7895 -99.6613 4.6981
4 6 3.4658 1.1053 -87.4598 34.7439
4 6 3.4658 1.4211 -55.8769 25.3410
4 6 3.4658 1.7368 -106.7054 14.5402
4 6 3.4658 2.0526 -122.7942 57.7370
4 6 3.4658 2.3684 -74.8838 26.9542
4 6 3.4658 2.6842 -30.8914 94.0308
4 6 3.4658 3.0000 -46.8792 10.1106
5 6 2.1014 -3.0000 8.3143 18.1167
5 6 2.1014 -2.6842 -49.1998 64.0290
5 6 2.1014 -2.3684 -55.8847 69.3709
5 6 2.1014 -2.0526 20.0934 26.7337
5 6 2.1014 -1.7368 -39.8225 13.2769
5 6 2.1014 -1.4211 5.7620 11.1412
5 6 2.1014 -1.1053 -21.6508 2.4309
5 6 2.1014 -0.7895 -36.4559 4.2850
5 6 2.1014 -0.4737 -34.1736 2.3144
5 6 2.1014 -0.1579 -46.0103 2.3307
5 6 2.1014 0.1579 -32.5388 13.3568
5 6 2.1014 0.4737 -50.9211 1.9609
5 6 2.1014 0.7895 -64.5096 2.7813
5 6 2.1014 1.1053 -97.5960 25.8323
5 6 2.1014 1.4211 -55.9074 14.2916
5 6 2.1014 1.7368 -112.0930 112.1539
5 6 2.1014 2.0526 -111.6256 68.7070
5 6 2.1014 2.3684 1.1570 115.4874
5 6 2.1014 2.6842 -19.6186 25.0622
5 6 2.1014 3.0000 -39.0154 32.2197
6 6 0.7719 -3.0000 25.4630 33.6800
6 6 0.7719 -2.6842 8.8099 52.7183
6 6 0.7719 -2.3684 15.8402 32.0428
6 6 0.7719 -2.0526 53.0305 27.7129
6 6 0.7719 -1.7368 -0.2334 5.1962
6 6 0.7719 -1.4211 -5.8101 29.2884
6 6 0.7719 -1.1053 -16.7882 19.1844
6 6 0.7719 -0.7895 -18.9309 2.0517
6 6 0.7719 -0.4737 -29.2150 1.4458
6 6 0.7719 -0.1579 -38.3329 1.5236
6 6 0.7719 0.1579 -50.3723 3.5135
6 6 0.7719 0.4737 -56.7913 3.1493
6 6 0.7719 0.7895 -82.6832 8.4902
6 6 0.7719 1.1053 -57.3661 76.3236
6 6 0.7719 1.4211 9.2773 56.9703
6 6 0.7719 1.7368 -95.9740 25.4270
6 6 0.7719 2.0526 -107.4578 89.7811
6 6 0.7719 2.3684 -21.1382 58.4132
6 6 0.7719 2.6842 59.4885 168.0728
6 6 0.7719 3.0000 33.8345 19.7436
1 7 2.5812 -3.0000 20.9056 12.7939
1 7 2.5812 -2.6842 -7.6641 45.8419
1 7 2.5812 -2.3684 -25.6372 52.7746
1 7 2.5812 -2.0526 28.3137 20.7422
1 7 2.5812 -1.7368 -17.6741 10.3315
1 7 2.5812 -1.4211 18.3287 9.6183
1 7 2.5812 -1.1053 -4.5160 1.9954
1 7 2.5812 -0.7895 -15.0724 1.9295
1 7 2.5812 -0.4737 -22.7685 1.5841
1 7 2.5812 -0.1579 -35.7743 3.3413
1 7 2.5812 0.1579 -5.8357 23.3861
1 7 2.5812 0.4737 -35.8930 2.9588
1 7 2.5812 0.7895 -56.3432 4.2304
1 7 2.5812 1.1053 -108.2406 34.8003
1 7 2.5812 1.4211 -34.5050 23.3026
1 7 2.5812 1.7368 -145.1006 169.0336
1 7 2.5812 2.0526 -140.1324 111.9671
1 7 2.5812 2.3684 69.3637 210.7634
1 7 2.5812 2.6842 18.4898 15.6530
1 7 2.5812 3.0000 3.2709 41.4314
2 7 3.6639 -3.0000 3.8085 33.8730
2 7 3.6639 -2.6842 -24.7654 24.2406
2 7 3.6639 -2.3684 -14.4138 28.3642
2 7 3.6639 -2.0526 20.2819 25.7325
2 7 3.6639 -1.7368 -24.3733 5.3824
2 7 3.6639 -1.4211 -27.5138 9.3292
2 7 3.6639 -1.1053 -39.1901 13.6185
2 7 3.6639 -0.7895 -40.3570 1.6841
2 7 3.6639 -0.4737 -48.9697 1.2553
2 7 3.6639 -0.1579 -57.3209 1.4968
2 7 3.6639 0.1579 -71.4247 5.6184
2 7 3.6639 0.4737 -69.6878 3.7544
2 7 3.6639 0.7895 -97.1995 15.4315
2 7 3.6639 1.1053 -82.5880 47.9643
2 7 3.6639 1.4211 2.1585 60.5486
2 7 3.6639 1.7368 -105.8292 27.4417
2 7 3.6639 2.0526 -125.0814 81.7965
2 7 3.6639 2.3684 -36.5414 93.2255
2 7 3.6639 2.6842 30.8440 120.7080
2 7 3.6639 3.0000 18.8702 20.0758
3 7 5.7677 -3.0000 30.4543 11.7936
3 7 5.7677 -2.6842 7.2516 46.1351
3 7 5.7677 -2.3684 -7.5265 61.7918
3 7 5.7677 -2.0526 39.1216 19.5914
3 7 5.7677 -1.7368 -8.4462 11.9952
3 7 5.7677 -1.4211 29.3119 8.5623
3 7 5.7677 -1.1053 7.3566 2.0488
3 7 5.7677 -0.7895 -5.4723 3.9308
3 7 5.7677 -0.4737 -5.6164 2.1170
3 7 5.7677 -0.1579 -18.5976 2.9996
3 7 5.7677 0.1579 4.2792 18.4325
3 7 5.7677 0.4737 -20.3860 2.4971
3 7 5.7677 0.7895 -37.6422 3.5497
3 7 5.7677 1.1053 -79.1104 30.2434
3 7 5.7677 1.4211 -22.0897 18.9804
3 7 5.7677 1.7368 -102.1846 132.4640
3 7 5.7677 2.0526 -116.2166 91.7447
3 7 5.7677 2.3684 72.7907 180.1353
3 7 5.7677 2.6842 28.0191 28.9560
3 7 5.7677 3.0000 2.7567 58.6168
4 7 7.9743 -3.0000 25.1562 22.2945
4 7 7.9743 -2.6842 10.8470 18.7383
4 7 7.9743 -2.3684 18.1693 18.8620
4 7 7.9743 -2.0526 38.9908 15.9044
4 7 7.9743 -1.7368 7.8551 4.1469
4 7 7.9743 -1.4211 6.1163 10.1458
4 7 7.9743 -1.1053 -1.3045 10.3123
4 7 7.9743 -0.7895 -4.0630 1.2702
4 7 7.9743 -0.4737 -10.9675 1.0491
4 7 7.9743 -0.1579 -18.1441 1.3184
4 7 7.9743 0.1579 -31.0108 5.0049
4 7 7.9743 0.4737 -27.5790 3.5448
4 7 7.9743 0.7895 -52.5884 15.2942
4 7 7.9743 1.1053 -45.9459 34.1528
4 7 7.9743 1.4211 30.2889 53.4974
4 7 7.9743 1.7368 -64.1415 27.2098
4 7 7.9743 2.0526 -88.8750 67.9690
4 7 7.9743 2.3684 -12.6134 109.6633
4 7 7.9743 2.6842 60.2417 112.7872
4 7 7.9743 3.0000 59.1786 21.9518
5 7 9.6587 -3.0000 10.8035 7.1922
5 7 9.6587 -2.6842 -4.7261 29.2044
5 7 9.6587 -2.3684 -14.4615 27.0537
5 7 9.6587 -2.0526 9.2718 9.3645
5 7 9.6587 -1.7368 -14.4154 5.6948
5 7 9.6587 -1.4211 0.0185 3.6775
5 7 9.6587 -1.1053 -11.0822 1.1893
5 7 9.6587 -0.7895 -18.5672 1.8393
5 7 9.6587 -0.4737 -22.3239 1.3793
5 7 9.6587 -0.1579 -32.9206 2.6966
5 7 9.6587 0.1579 -10.1326 18.9663
5 7 9.6587 0.4737 -34.1984 2.4791
5 7 9.6587 0.7895 -51.6208 3.6266
5 7 9.6587 1.1053 -96.4693 29.3663
5 7 9.6587 1.4211 -35.3400 20.1665
5 7 9.6587 1.7368 -121.8036 135.6691
5 7 9.6587 2.0526 -136.5489 105.3184
5 7 9.6587 2.3684 65.6802 226.3580
5 7 9.6587 2.6842 25.7805 32.3454
5 7 9.6587 3.0000 -18.0233 56.3030
6 7 10.2921 -3.0000 6.1633 13.2322
6 7 10.2921 -2.6842 1.2563 14.4107
6 7 10.2921 -2.3684 -0.7221 8.9890
6 7 10.2921 -2.0526 9.2361 8.2433
6 7 10.2921 -1.7368 -7.7447 2.1857
6 7 10.2921 -1.4211 -10.4656 5.0916
6 7 10.2921 -1.1053 -16.6468 4.2872
6 7 10.2921 -0.7895 -19.6222 0.9037
6 7 10.2921 -0.4737 -25.2441 0.9416
6 7 10.2921 -0.1579 -32.1649 1.3539
6 7 10.2921 0.1579 -46.4874 6.4781
6 7 10.2921 0.4737 -39.9178 3.9834
6 7 10.2921 0.7895 -69.5446 15.5758
6 7 10.2921 1.1053 -60.2316 36.9172
6 7 10.2921 1.4211 24.2355 60.6775
6 7 10.2921 1.7368 -78.2786 33.5174
6 7 10.2921 2.0526 -108.8574 75.7356
6 7 10.2921 2.3684 -29.0715 125.9905
6 7 10.2921 2.6842 64.6415 129.8927
6 7 10.2921 3.0000 59.9520 25.6523
1 8 4.1583 -3.0000 -48.6292 10.3900
1 8 4.1583 -2.6842 -94.1727 36.5726
1 8 4.1583 -2.3684 -97.6340 47.8493
1 8 4.1583 -2.0526 -14.9663 32.1140
1 8 4.1583 -1.7368 -78.0947 14.2976
1 8 4.1583 -1.4211 6.0080 21.0006
1 8 4.1583 -1.1053 -33.8154 2.5930
1 8 4.1583 -0.7895 -45.3597 2.3313
1 8 4.1583 -0.4737 -48.0875 0.8358
1 8 4.1583 -0.1579 -52.2204 0.5803
1 8 4.1583 0.1579 -54.2626 0.6886
1 8 4.1583 0.4737 -57.0933 0.3984
1 8 4.1583 0.7895 -59.6473 0.4368
1 8 4.1583 1.1053 -63.2497 1.3963
1 8 4.1583 1.4211 -65.0964 1.3412
1 8 4.1583 1.7368 -65.6576 21.3596
1 8 4.1583 2.0526 -70.5508 9.1746
1 8 4.1583 2.3684 -52.6956 17.6122
1 8 4.1583 2.6842 -63.2361 3.9034
1 8 4.1583 3.0000 -69.6460 22.7958
2 8 4.3610 -3.0000 -15.4123 22.0029
2 8 4.3610 -2.6842 -20.5693 28.9956
2 8 4.3610 -2.3684 4.5124 35.6246
2 8 4.3610 -2.0526 37.7659 31.3757
2 8 4.3610 -1.7368 -7.9825 4.0833
2 8 4.3610 -1.4211 -16.7882 12.3904
2 8 4.3610 -1.1053 -33.4499 28.7650
2 8 4.3610 -0.7895 -10.3182 2.2181
2 8 4.3610 -0.4737 -18.3164 0.8399
2 8 4.3610 -0.1579 -22.6711 0.6020
2 8 4.3610 0.1579 -26.4774 0.8145
2 8 4.3610 0.4737 -29.2985 0.7060
2 8 4.3610 0.7895 -34.5328 2.0943
2 8 4.3610 1.1053 -32.1620 8.8777
2 8 4.3610 1.4211 -22.9725 8.5228
2 8 4.3610 1.7368 -41.3757 3.9347
2 8 4.3610 2.0526 -51.9815 23.1372
2 8 4.3610 2.3684 -37.2957 18.9134
2 8 4.3610 2.6842 -8.6927 39.5054
2 8 4.3610 3.0000 -14.8159 5.1450
3 8 5.7677 -3.0000 30.4579 11.7937
3 8 5.7677 -2.6842 7.2545 46.1349
3 8 5.7677 -2.3684 -7.5260 61.7851
3 8 5.7677 -2.0526 39.1206 19.5911
3 8 5.7677 -1.7368 -8.4487 11.9965
3 8 5.7677 -1.4211 29.3157 8.5631
3 8 5.7677 -1.1053 7.3588 2.0488
3 8 5.7677 -0.7895 -5.4687 3.9287
3 8 5.7677 -0.4737 -5.6162 2.1170
3 8 5.7677 -0.1579 -18.5974 2.9996
3 8 5.7677 0.1579 4.2786 18.4324
3 8 5.7677 0.4737 -20.3868 2.4972
3 8 5.7677 0.7895 -37.6440 3.5499
3 8 5.7677 1.1053 -79.1170 30.2470
3 8 5.7677 1.4211 -22.0856 18.9814
3 8 5.7677 1.7368 -102.1870 132.4616
3 8 5.7677 2.0526 -116.2190 91.7456
3 8 5.7677 2.3684 72.7935 180.1441
3 8 5.7677 2.6842 28.0230 28.9587
3 8 5.7677 3.0000 2.7559 58.6171
4 8 7.9743 -3.0000 25.1584 22.2952
4 8 7.9743 -2.6842 10.8449 18.7406
4 8 7.9743 -2.3684 18.1755 18.8630
4 8 7.9743 -2.0526 38.9945 15.9043
4 8 7.9743 -1.7368 7.8588 4.1467
4 8 7.9743 -1.4211 6.1139 10.1488
4 8 7.9743 -1.1053 -1.3043 10.3131
4 8 7.9743 -0.7895 -4.0608 1.2703
4 8 7.9743 -0.4737 -10.9654 1.0491
4 8 7.9743 -0.1579 -18.1421 1.3184
4 8 7.9743 0.1579 -31.0088 5.0048
4 8 7.9743 0.4737 -27.5773 3.5448
4 8 7.9743 0.7895 -52.5864 15.2935
4 8 7.9743 1.1053 -45.9431 34.1544
4 8 7.9743 1.4211 30.2885 53.4953
4 8 7.9743 1.7368 -64.1377 27.2058
4 8 7.9743 2.0526 -88.8772 67.9722
4 8 7.9743 2.3684 -12.6130 109.6656
4 8 7.9743 2.6842 60.2476 112.7935
4 8 7.9743 3.0000 59.1852 21.9512
5 8 9.6587 -3.0000 10.8088 7.1925
5 8 9.6587 -2.6842 -4.7292 29.2023
5 8 9.6587 -2.3684 -14.4591 27.0546
5 8 9.6587 -2.0526 9.2756 9.3648
5 8 9.6587 -1.7368 -14.4125 5.6948
5 8 9.6587 -1.4211 0.0219 3.6778
5 8 9.6587 -1.1053 -11.0793 1.1893
5 8 9.6587 -0.7895 -18.5646 1.8393
5 8 9.6587 -0.4737 -22.3211 1.3793
5 8 9.6587 -0.1579 -32.9179 2.6966
5 8 9.6587 0.1579 -10.1300 18.9662
5 8 9.6587 0.4737 -34.1956 2.4791
5 8 9.6587 0.7895 -51.6177 3.6265
5 8 9.6587 1.1053 -96.4653 29.3662
5 8 9.6587 1.4211 -35.3362 20.1659
5 8 9.6587 1.7368 -121.7932 135.6622
5 8 9.6587 2.0526 -136.5446 105.3159
5 8 9.6587 2.3684 65.6820 226.3579
5 8 9.6587 2.6842 25.7852 32.3432
5 8 9.6587 3.0000 -18.0267 56.2970
6 8 10.2921 -3.0000 6.1650 13.2322
6 8 10.2921 -2.6842 1.2579 14.4118
6 8 10.2921 -2.3684 -0.7171 8.9900
6 8 10.2921 -2.0526 9.2380 8.2431
6 8 10.2921 -1.7368 -7.7427 2.1857
6 8 10.2921 -1.4211 -10.4639 5.0926
6 8 10.2921 -1.1053 -16.6448 4.2868
6 8 10.2921 -0.7895 -19.6204 0.9037
6 8 10.2921 -0.4737 -25.2422 0.9416
6 8 10.2921 -0.1579 -32.1629 1.3539
6 8 10.2921 0.1579 -46.4853 6.4782
6 8 10.2921 0.4737 -39.9154 3.9833
6 8 10.2921 0.7895 -69.5417 15.5757
6 8 10.2921 1.1053 -60.2260 36.9175
6 8 10.2921 1.4211 24.2297 60.6702
6 8 10.2921 1.7368 -78.2778 33.5171
6 8 10.2921 2.0526 -108.8551 75.7354
6 8 10.2921 2.3684 -29.0678 125.9903
6 8 10.2921 2.6842 64.6509 129.8891
6 8 10.2921 3.0000 59.9527 25.6500
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.0000000 0.0000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 1 w = -3.0000 eV A(k,w) = 0.11873E-04 meV^-1
ik = 1 w = -2.6842 eV A(k,w) = 0.35345E-04 meV^-1
ik = 1 w = -2.3684 eV A(k,w) = 0.75557E-04 meV^-1
ik = 1 w = -2.0526 eV A(k,w) = 0.50146E-04 meV^-1
ik = 1 w = -1.7368 eV A(k,w) = 0.38251E-04 meV^-1
ik = 1 w = -1.4211 eV A(k,w) = 0.57250E-04 meV^-1
ik = 1 w = -1.1053 eV A(k,w) = 0.18081E-04 meV^-1
ik = 1 w = -0.7895 eV A(k,w) = 0.51833E-04 meV^-1
ik = 1 w = -0.4737 eV A(k,w) = 0.23619E-02 meV^-1
ik = 1 w = -0.1579 eV A(k,w) = 0.82338E-04 meV^-1
ik = 1 w = 0.1579 eV A(k,w) = 0.52862E-04 meV^-1
ik = 1 w = 0.4737 eV A(k,w) = 0.79306E-05 meV^-1
ik = 1 w = 0.7895 eV A(k,w) = 0.96695E-05 meV^-1
ik = 1 w = 1.1053 eV A(k,w) = 0.12830E-03 meV^-1
ik = 1 w = 1.4211 eV A(k,w) = 0.44939E-04 meV^-1
ik = 1 w = 1.7368 eV A(k,w) = 0.57652E-03 meV^-1
ik = 1 w = 2.0526 eV A(k,w) = 0.13419E-02 meV^-1
ik = 1 w = 2.3684 eV A(k,w) = 0.13906E-02 meV^-1
ik = 1 w = 2.6842 eV A(k,w) = 0.28502E-02 meV^-1
ik = 1 w = 3.0000 eV A(k,w) = 0.54816E-03 meV^-1
-------------------------------------------------------------------
ik = 2 coord.: 0.1000000 0.1000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 2 w = -3.0000 eV A(k,w) = 0.49472E-04 meV^-1
ik = 2 w = -2.6842 eV A(k,w) = 0.55410E-04 meV^-1
ik = 2 w = -2.3684 eV A(k,w) = 0.10289E-03 meV^-1
ik = 2 w = -2.0526 eV A(k,w) = 0.16934E-03 meV^-1
ik = 2 w = -1.7368 eV A(k,w) = 0.11357E-03 meV^-1
ik = 2 w = -1.4211 eV A(k,w) = 0.59607E-02 meV^-1
ik = 2 w = -1.1053 eV A(k,w) = 0.16368E-02 meV^-1
ik = 2 w = -0.7895 eV A(k,w) = 0.25360E-04 meV^-1
ik = 2 w = -0.4737 eV A(k,w) = 0.56016E-05 meV^-1
ik = 2 w = -0.1579 eV A(k,w) = 0.34464E-05 meV^-1
ik = 2 w = 0.1579 eV A(k,w) = 0.16048E-04 meV^-1
ik = 2 w = 0.4737 eV A(k,w) = 0.38063E-05 meV^-1
ik = 2 w = 0.7895 eV A(k,w) = 0.17168E-04 meV^-1
ik = 2 w = 1.1053 eV A(k,w) = 0.65289E-04 meV^-1
ik = 2 w = 1.4211 eV A(k,w) = 0.70612E-04 meV^-1
ik = 2 w = 1.7368 eV A(k,w) = 0.44326E-03 meV^-1
ik = 2 w = 2.0526 eV A(k,w) = 0.17220E-02 meV^-1
ik = 2 w = 2.3684 eV A(k,w) = 0.43494E-03 meV^-1
ik = 2 w = 2.6842 eV A(k,w) = 0.56051E-03 meV^-1
ik = 2 w = 3.0000 eV A(k,w) = 0.93325E-04 meV^-1
-------------------------------------------------------------------
ik = 3 coord.: 0.2000000 0.2000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 3 w = -3.0000 eV A(k,w) = 0.19713E-03 meV^-1
ik = 3 w = -2.6842 eV A(k,w) = 0.15541E-02 meV^-1
ik = 3 w = -2.3684 eV A(k,w) = 0.16868E-02 meV^-1
ik = 3 w = -2.0526 eV A(k,w) = 0.44551E-03 meV^-1
ik = 3 w = -1.7368 eV A(k,w) = 0.47460E-04 meV^-1
ik = 3 w = -1.4211 eV A(k,w) = 0.42417E-04 meV^-1
ik = 3 w = -1.1053 eV A(k,w) = 0.38855E-05 meV^-1
ik = 3 w = -0.7895 eV A(k,w) = 0.60553E-05 meV^-1
ik = 3 w = -0.4737 eV A(k,w) = 0.41710E-05 meV^-1
ik = 3 w = -0.1579 eV A(k,w) = 0.56114E-05 meV^-1
ik = 3 w = 0.1579 eV A(k,w) = 0.13514E-04 meV^-1
ik = 3 w = 0.4737 eV A(k,w) = 0.71593E-05 meV^-1
ik = 3 w = 0.7895 eV A(k,w) = 0.79958E-04 meV^-1
ik = 3 w = 1.1053 eV A(k,w) = 0.51026E-03 meV^-1
ik = 3 w = 1.4211 eV A(k,w) = 0.69590E-04 meV^-1
ik = 3 w = 1.7368 eV A(k,w) = 0.14368E-03 meV^-1
ik = 3 w = 2.0526 eV A(k,w) = 0.83592E-04 meV^-1
ik = 3 w = 2.3684 eV A(k,w) = 0.93204E-04 meV^-1
ik = 3 w = 2.6842 eV A(k,w) = 0.24146E-04 meV^-1
ik = 3 w = 3.0000 eV A(k,w) = 0.82040E-04 meV^-1
-------------------------------------------------------------------
ik = 4 coord.: 0.3000000 0.3000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 4 w = -3.0000 eV A(k,w) = 0.25300E-03 meV^-1
ik = 4 w = -2.6842 eV A(k,w) = 0.11708E-03 meV^-1
ik = 4 w = -2.3684 eV A(k,w) = 0.57955E-04 meV^-1
ik = 4 w = -2.0526 eV A(k,w) = 0.51125E-04 meV^-1
ik = 4 w = -1.7368 eV A(k,w) = 0.57594E-05 meV^-1
ik = 4 w = -1.4211 eV A(k,w) = 0.27440E-04 meV^-1
ik = 4 w = -1.1053 eV A(k,w) = 0.23808E-04 meV^-1
ik = 4 w = -0.7895 eV A(k,w) = 0.38743E-05 meV^-1
ik = 4 w = -0.4737 eV A(k,w) = 0.40484E-05 meV^-1
ik = 4 w = -0.1579 eV A(k,w) = 0.14904E-04 meV^-1
ik = 4 w = 0.1579 eV A(k,w) = 0.13175E-02 meV^-1
ik = 4 w = 0.4737 eV A(k,w) = 0.15652E-04 meV^-1
ik = 4 w = 0.7895 eV A(k,w) = 0.21289E-04 meV^-1
ik = 4 w = 1.1053 eV A(k,w) = 0.38432E-04 meV^-1
ik = 4 w = 1.4211 eV A(k,w) = 0.25180E-04 meV^-1
ik = 4 w = 1.7368 eV A(k,w) = 0.18468E-04 meV^-1
ik = 4 w = 2.0526 eV A(k,w) = 0.69046E-04 meV^-1
ik = 4 w = 2.3684 eV A(k,w) = 0.49152E-04 meV^-1
ik = 4 w = 2.6842 eV A(k,w) = 0.17991E-03 meV^-1
ik = 4 w = 3.0000 eV A(k,w) = 0.11118E-03 meV^-1
-------------------------------------------------------------------
ik = 5 coord.: 0.4000000 0.4000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 5 w = -3.0000 eV A(k,w) = 0.25430E-04 meV^-1
ik = 5 w = -2.6842 eV A(k,w) = 0.39433E-04 meV^-1
ik = 5 w = -2.3684 eV A(k,w) = 0.43583E-04 meV^-1
ik = 5 w = -2.0526 eV A(k,w) = 0.25582E-04 meV^-1
ik = 5 w = -1.7368 eV A(k,w) = 0.87453E-05 meV^-1
ik = 5 w = -1.4211 eV A(k,w) = 0.13056E-04 meV^-1
ik = 5 w = -1.1053 eV A(k,w) = 0.30834E-05 meV^-1
ik = 5 w = -0.7895 eV A(k,w) = 0.75216E-05 meV^-1
ik = 5 w = -0.4737 eV A(k,w) = 0.14602E-04 meV^-1
ik = 5 w = -0.1579 eV A(k,w) = 0.26879E-03 meV^-1
ik = 5 w = 0.1579 eV A(k,w) = 0.21080E-03 meV^-1
ik = 5 w = 0.4737 eV A(k,w) = 0.68201E-05 meV^-1
ik = 5 w = 0.7895 eV A(k,w) = 0.54575E-05 meV^-1
ik = 5 w = 1.1053 eV A(k,w) = 0.58222E-04 meV^-1
ik = 5 w = 1.4211 eV A(k,w) = 0.41550E-04 meV^-1
ik = 5 w = 1.7368 eV A(k,w) = 0.81978E-03 meV^-1
ik = 5 w = 2.0526 eV A(k,w) = 0.10436E-02 meV^-1
ik = 5 w = 2.3684 eV A(k,w) = 0.50268E-03 meV^-1
ik = 5 w = 2.6842 eV A(k,w) = 0.43112E-04 meV^-1
ik = 5 w = 3.0000 eV A(k,w) = 0.36356E-04 meV^-1
-------------------------------------------------------------------
ik = 6 coord.: 0.5000000 0.5000000 0.0000000 Temp. : 600.000
-------------------------------------------------------------------
ik = 6 w = -3.0000 eV A(k,w) = 0.37958E-04 meV^-1
ik = 6 w = -2.6842 eV A(k,w) = 0.35749E-04 meV^-1
ik = 6 w = -2.3684 eV A(k,w) = 0.21339E-04 meV^-1
ik = 6 w = -2.0526 eV A(k,w) = 0.25133E-04 meV^-1
ik = 6 w = -1.7368 eV A(k,w) = 0.33885E-05 meV^-1
ik = 6 w = -1.4211 eV A(k,w) = 0.16324E-04 meV^-1
ik = 6 w = -1.1053 eV A(k,w) = 0.14733E-04 meV^-1
ik = 6 w = -0.7895 eV A(k,w) = 0.24386E-05 meV^-1
ik = 6 w = -0.4737 eV A(k,w) = 0.21302E-05 meV^-1
ik = 6 w = -0.1579 eV A(k,w) = 0.36003E-05 meV^-1
ik = 6 w = 0.1579 eV A(k,w) = 0.28916E-04 meV^-1
ik = 6 w = 0.4737 eV A(k,w) = 0.94138E-04 meV^-1
ik = 6 w = 0.7895 eV A(k,w) = 0.33521E-03 meV^-1
ik = 6 w = 1.1053 eV A(k,w) = 0.22623E-03 meV^-1
ik = 6 w = 1.4211 eV A(k,w) = 0.90381E-04 meV^-1
ik = 6 w = 1.7368 eV A(k,w) = 0.35929E-04 meV^-1
ik = 6 w = 2.0526 eV A(k,w) = 0.55991E-04 meV^-1
ik = 6 w = 2.3684 eV A(k,w) = 0.26535E-04 meV^-1
ik = 6 w = 2.6842 eV A(k,w) = 0.46656E-04 meV^-1
ik = 6 w = 3.0000 eV A(k,w) = 0.65052E-05 meV^-1
-------------------------------------------------------------------
1 1 -15.7116 -3.0000 299.5800 115.3796
1 1 -15.7116 -2.6842 -158.7071 395.5251
1 1 -15.7116 -2.3684 100.8048 301.0410
1 1 -15.7116 -2.0526 388.6305 194.4416
1 1 -15.7116 -1.7368 32.5667 91.1651
1 1 -15.7116 -1.4211 576.7387 166.0436
1 1 -15.7116 -1.1053 296.1998 18.7220
1 1 -15.7116 -0.7895 211.7346 15.9001
1 1 -15.7116 -0.4737 185.8530 8.3685
1 1 -15.7116 -0.1579 145.1369 7.6092
1 1 -15.7116 0.1579 137.8669 9.7094
1 1 -15.7116 0.4737 102.7511 5.1031
1 1 -15.7116 0.7895 64.3840 8.4519
1 1 -15.7116 1.1053 56.6593 149.3582
1 1 -15.7116 1.4211 48.0064 19.8674
1 1 -15.7116 1.7368 146.6359 204.6177
1 1 -15.7116 2.0526 44.4674 46.1693
1 1 -15.7116 2.3684 60.1667 58.7739
1 1 -15.7116 2.6842 -49.5920 25.4712
1 1 -15.7116 3.0000 -160.6537 145.5881
2 1 -15.5066 -3.0000 332.4176 247.5248
2 1 -15.5066 -2.6842 196.2386 227.3462
2 1 -15.5066 -2.3684 391.9635 277.7633
2 1 -15.5066 -2.0526 603.9217 287.3945
2 1 -15.5066 -1.7368 293.8314 30.9120
2 1 -15.5066 -1.4211 207.7997 102.3110
2 1 -15.5066 -1.1053 174.8158 90.3525
2 1 -15.5066 -0.7895 212.6187 11.1021
2 1 -15.5066 -0.4737 166.9647 5.4609
2 1 -15.5066 -0.1579 136.0750 4.7395
2 1 -15.5066 0.1579 103.7397 24.2810
2 1 -15.5066 0.4737 96.9517 5.5714
2 1 -15.5066 0.7895 62.3151 12.2968
2 1 -15.5066 1.1053 38.9841 30.8515
2 1 -15.5066 1.4211 92.6778 31.7820
2 1 -15.5066 1.7368 -8.9657 22.5280
2 1 -15.5066 2.0526 -65.5160 286.4260
2 1 -15.5066 2.3684 -92.6348 101.6352
2 1 -15.5066 2.6842 384.2415 467.2289
2 1 -15.5066 3.0000 144.8764 38.6394
3 1 -14.8836 -3.0000 375.2301 96.8950
3 1 -14.8836 -2.6842 101.7266 206.8013
3 1 -14.8836 -2.3684 85.0378 243.5164
3 1 -14.8836 -2.0526 339.0977 140.6237
3 1 -14.8836 -1.7368 111.7878 54.1783
3 1 -14.8836 -1.4211 353.6964 83.7736
3 1 -14.8836 -1.1053 206.5758 11.5396
3 1 -14.8836 -0.7895 142.4407 16.7990
3 1 -14.8836 -0.4737 156.9271 11.7066
3 1 -14.8836 -0.1579 111.2155 8.6709
3 1 -14.8836 0.1579 118.6382 11.4620
3 1 -14.8836 0.4737 81.7717 4.9775
3 1 -14.8836 0.7895 45.1586 7.8671
3 1 -14.8836 1.1053 28.2386 121.3917
3 1 -14.8836 1.4211 -3.3531 25.4320
3 1 -14.8836 1.7368 245.4012 318.2713
3 1 -14.8836 2.0526 62.3847 68.3173
3 1 -14.8836 2.3684 73.9611 70.6035
3 1 -14.8836 2.6842 58.0574 62.8620
3 1 -14.8836 3.0000 11.9639 276.9496
4 1 -13.8612 -3.0000 301.5006 177.8664
4 1 -13.8612 -2.6842 207.1651 197.3392
4 1 -13.8612 -2.3684 310.0522 168.4838
4 1 -13.8612 -2.0526 402.2334 166.3256
4 1 -13.8612 -1.7368 223.7318 21.2921
4 1 -13.8612 -1.4211 180.7245 77.6413
4 1 -13.8612 -1.1053 168.8972 53.7093
4 1 -13.8612 -0.7895 165.2191 6.8478
4 1 -13.8612 -0.4737 134.7432 3.8739
4 1 -13.8612 -0.1579 112.3596 3.4119
4 1 -13.8612 0.1579 90.5701 7.1597
4 1 -13.8612 0.4737 69.7047 5.2187
4 1 -13.8612 0.7895 48.6375 25.6195
4 1 -13.8612 1.1053 -12.8472 43.5309
4 1 -13.8612 1.4211 165.6389 50.5581
4 1 -13.8612 1.7368 47.6300 30.7275
4 1 -13.8612 2.0526 -8.9277 126.3886
4 1 -13.8612 2.3684 -18.7698 94.7199
4 1 -13.8612 2.6842 174.9674 197.7864
4 1 -13.8612 3.0000 106.1555 34.7572
5 1 -12.5916 -3.0000 344.4613 82.1361
5 1 -12.5916 -2.6842 128.4475 160.7050
5 1 -12.5916 -2.3684 96.2626 188.0314
5 1 -12.5916 -2.0526 300.4608 111.9813
5 1 -12.5916 -1.7368 142.8187 35.2854
5 1 -12.5916 -1.4211 260.0318 47.0685
5 1 -12.5916 -1.1053 175.5871 7.2822
5 1 -12.5916 -0.7895 133.3245 11.6453
5 1 -12.5916 -0.4737 138.8667 7.4754
5 1 -12.5916 -0.1579 107.5538 6.4430
5 1 -12.5916 0.1579 111.6520 9.4117
5 1 -12.5916 0.4737 83.1789 4.0340
5 1 -12.5916 0.7895 52.2096 6.8617
5 1 -12.5916 1.1053 3.9633 87.7730
5 1 -12.5916 1.4211 38.5007 25.8033
5 1 -12.5916 1.7368 214.4052 263.5304
5 1 -12.5916 2.0526 76.6072 104.1239
5 1 -12.5916 2.3684 159.2589 77.8878
5 1 -12.5916 2.6842 53.1663 44.3393
5 1 -12.5916 3.0000 139.9447 84.7973
6 1 -11.7689 -3.0000 325.1855 163.9982
6 1 -11.7689 -2.6842 251.1319 159.9138
6 1 -11.7689 -2.3684 272.9769 117.3749
6 1 -11.7689 -2.0526 357.0507 131.9302
6 1 -11.7689 -1.7368 222.6774 14.7462
6 1 -11.7689 -1.4211 202.7282 50.9310
6 1 -11.7689 -1.1053 188.6521 52.3785
6 1 -11.7689 -0.7895 174.0087 5.5421
6 1 -11.7689 -0.4737 149.2355 3.2006
6 1 -11.7689 -0.1579 129.8666 3.2467
6 1 -11.7689 0.1579 105.2430 25.7754
6 1 -11.7689 0.4737 110.7541 4.5552
6 1 -11.7689 0.7895 80.4543 8.9906
6 1 -11.7689 1.1053 49.8808 38.0284
6 1 -11.7689 1.4211 176.3782 39.6747
6 1 -11.7689 1.7368 89.9595 15.3012
6 1 -11.7689 2.0526 67.3135 73.3054
6 1 -11.7689 2.3684 104.4522 58.7318
6 1 -11.7689 2.6842 136.0372 84.6133
6 1 -11.7689 3.0000 60.9057 31.3837
1 2 -0.6281 -3.0000 261.7548 68.9971
1 2 -0.6281 -2.6842 161.7227 147.6571
1 2 -0.6281 -2.3684 119.8762 248.1752
1 2 -0.6281 -2.0526 286.9814 127.7311
1 2 -0.6281 -1.7368 105.4844 53.4117
1 2 -0.6281 -1.4211 265.2788 59.0849
1 2 -0.6281 -1.1053 176.6539 7.6537
1 2 -0.6281 -0.7895 139.8426 4.8625
1 2 -0.6281 -0.4737 110.3343 4.8742
1 2 -0.6281 -0.1579 67.9454 13.6520
1 2 -0.6281 0.1579 113.8956 22.9607
1 2 -0.6281 0.4737 56.2003 7.4589
1 2 -0.6281 0.7895 -2.0295 13.4052
1 2 -0.6281 1.1053 -54.6056 224.2109
1 2 -0.6281 1.4211 -2.7325 42.5602
1 2 -0.6281 1.7368 123.7279 358.6859
1 2 -0.6281 2.0526 -136.9881 271.9717
1 2 -0.6281 2.3684 412.5790 270.1487
1 2 -0.6281 2.6842 23.4551 61.8545
1 2 -0.6281 3.0000 64.7346 794.9150
2 2 -1.5778 -3.0000 186.4768 159.2118
2 2 -1.5778 -2.6842 114.9109 85.5180
2 2 -1.5778 -2.3684 172.6823 132.4895
2 2 -1.5778 -2.0526 260.0824 119.0243
2 2 -1.5778 -1.7368 142.6081 14.9192
2 2 -1.5778 -1.4211 139.4568 51.5487
2 2 -1.5778 -1.1053 141.7352 72.3766
2 2 -1.5778 -0.7895 107.2314 6.7250
2 2 -1.5778 -0.4737 78.0729 3.7258
2 2 -1.5778 -0.1579 55.9056 3.5223
2 2 -1.5778 0.1579 33.2293 6.7132
2 2 -1.5778 0.4737 12.5854 6.1618
2 2 -1.5778 0.7895 -38.8968 20.9015
2 2 -1.5778 1.1053 -18.3830 73.3778
2 2 -1.5778 1.4211 46.4922 47.9329
2 2 -1.5778 1.7368 -114.9676 44.9530
2 2 -1.5778 2.0526 -102.1152 339.7948
2 2 -1.5778 2.3684 -90.2510 145.1950
2 2 -1.5778 2.6842 296.6364 372.3030
2 2 -1.5778 3.0000 116.6794 44.8214
3 2 -3.6290 -3.0000 190.6911 56.9608
3 2 -3.6290 -2.6842 93.8836 133.1990
3 2 -3.6290 -2.3684 62.8383 200.8018
3 2 -3.6290 -2.0526 197.9813 90.3658
3 2 -3.6290 -1.7368 58.8371 41.5492
3 2 -3.6290 -1.4211 196.2075 49.5998
3 2 -3.6290 -1.1053 118.6269 6.8132
3 2 -3.6290 -0.7895 76.0243 15.5614
3 2 -3.6290 -0.4737 90.6616 7.9084
3 2 -3.6290 -0.1579 58.9865 7.2280
3 2 -3.6290 0.1579 71.9837 11.3298
3 2 -3.6290 0.4737 43.0216 3.7690
3 2 -3.6290 0.7895 15.4537 5.8418
3 2 -3.6290 1.1053 -25.9561 66.2879
3 2 -3.6290 1.4211 -1.9065 20.3113
3 2 -3.6290 1.7368 49.0805 182.4832
3 2 -3.6290 2.0526 -41.4161 165.1893
3 2 -3.6290 2.3684 168.4934 124.8850
3 2 -3.6290 2.6842 34.1559 41.3909
3 2 -3.6290 3.0000 -4.9896 181.6964
4 2 -5.8836 -3.0000 175.8363 111.4891
4 2 -5.8836 -2.6842 116.4250 67.2425
4 2 -5.8836 -2.3684 181.3115 106.2311
4 2 -5.8836 -2.0526 206.2538 73.9816
4 2 -5.8836 -1.7368 133.5838 10.0234
4 2 -5.8836 -1.4211 123.9235 47.1803
4 2 -5.8836 -1.1053 127.2027 55.3022
4 2 -5.8836 -0.7895 111.4425 4.8685
4 2 -5.8836 -0.4737 91.2016 2.4644
4 2 -5.8836 -0.1579 77.1745 2.1240
4 2 -5.8836 0.1579 63.9672 3.4446
4 2 -5.8836 0.4737 51.9608 3.2777
4 2 -5.8836 0.7895 27.8333 14.0675
4 2 -5.8836 1.1053 30.5777 38.0566
4 2 -5.8836 1.4211 79.4441 27.0992
4 2 -5.8836 1.7368 3.5239 24.4882
4 2 -5.8836 2.0526 8.0290 122.2261
4 2 -5.8836 2.3684 20.2070 63.6861
4 2 -5.8836 2.6842 136.1577 145.7915
4 2 -5.8836 3.0000 95.4362 18.6503
5 2 -7.8837 -3.0000 180.5412 45.4356
5 2 -7.8837 -2.6842 90.0332 110.3327
5 2 -7.8837 -2.3684 76.4973 136.4404
5 2 -7.8837 -2.0526 173.4040 69.7629
5 2 -7.8837 -1.7368 73.0029 26.8594
5 2 -7.8837 -1.4211 162.6294 33.9038
5 2 -7.8837 -1.1053 105.9124 4.9868
5 2 -7.8837 -0.7895 75.3007 9.5761
5 2 -7.8837 -0.4737 84.2910 6.0155
5 2 -7.8837 -0.1579 58.6750 6.0167
5 2 -7.8837 0.1579 71.9445 9.3742
5 2 -7.8837 0.4737 47.2602 3.2303
5 2 -7.8837 0.7895 22.6330 5.4621
5 2 -7.8837 1.1053 -40.4548 58.3498
5 2 -7.8837 1.4211 46.1149 20.5678
5 2 -7.8837 1.7368 66.7006 138.5295
5 2 -7.8837 2.0526 8.1319 135.4402
5 2 -7.8837 2.3684 166.6099 91.3593
5 2 -7.8837 2.6842 68.0512 23.1529
5 2 -7.8837 3.0000 54.2409 73.8900
6 2 -8.9352 -3.0000 149.4611 84.4357
6 2 -8.9352 -2.6842 100.6105 50.2000
6 2 -8.9352 -2.3684 128.8206 74.3040
6 2 -8.9352 -2.0526 158.8768 61.7338
6 2 -8.9352 -1.7368 98.3437 8.8734
6 2 -8.9352 -1.4211 85.6220 42.4559
6 2 -8.9352 -1.1053 78.4520 43.2492
6 2 -8.9352 -0.7895 76.4544 4.3281
6 2 -8.9352 -0.4737 57.5619 2.4261
6 2 -8.9352 -0.1579 43.0188 2.3307
6 2 -8.9352 0.1579 26.5855 7.4675
6 2 -8.9352 0.4737 12.3577 3.9551
6 2 -8.9352 0.7895 -23.8220 10.0709
6 2 -8.9352 1.1053 -65.6915 58.6547
6 2 -8.9352 1.4211 130.4566 55.0159
6 2 -8.9352 1.7368 17.3466 91.5354
6 2 -8.9352 2.0526 23.1554 108.2351
6 2 -8.9352 2.3684 52.7696 82.6704
6 2 -8.9352 2.6842 123.2570 157.3873
6 2 -8.9352 3.0000 88.4397 21.7172
1 3 -0.6281 -3.0000 261.7643 68.9949
1 3 -0.6281 -2.6842 161.6847 147.5953
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2 6 3.6639 -3.0000 73.2045 174.8614
2 6 3.6639 -2.6842 -42.5534 99.2731
2 6 3.6639 -2.3684 40.2304 193.2950
2 6 3.6639 -2.0526 211.1352 193.9014
2 6 3.6639 -1.7368 11.8361 18.1034
2 6 3.6639 -1.4211 -29.2596 27.5055
2 6 3.6639 -1.1053 -97.9017 68.8076
2 6 3.6639 -0.7895 -38.7375 8.1835
2 6 3.6639 -0.4737 -72.0829 4.0993
2 6 3.6639 -0.1579 -96.8249 4.1371
2 6 3.6639 0.1579 -124.6143 18.4550
2 6 3.6639 0.4737 -134.0744 8.0706
2 6 3.6639 0.7895 -186.5659 32.5316
2 6 3.6639 1.1053 -173.5600 97.6704
2 6 3.6639 1.4211 -32.9401 90.7016
2 6 3.6639 1.7368 -225.3794 61.7964
2 6 3.6639 2.0526 -231.9858 263.4284
2 6 3.6639 2.3684 -110.1978 179.8863
2 6 3.6639 2.6842 73.2380 284.8068
2 6 3.6639 3.0000 1.7604 48.0616
3 6 4.2912 -3.0000 -181.9604 56.7155
3 6 4.2912 -2.6842 -361.3717 72.6835
3 6 4.2912 -2.3684 -474.6119 139.1341
3 6 4.2912 -2.0526 -177.6171 153.7926
3 6 4.2912 -1.7368 -429.4338 60.8984
3 6 4.2912 -1.4211 -0.0586 126.0969
3 6 4.2912 -1.1053 -219.7441 14.9842
3 6 4.2912 -0.7895 -303.9065 21.9758
3 6 4.2912 -0.4737 -237.1413 19.6966
3 6 4.2912 -0.1579 -294.8001 8.3696
3 6 4.2912 0.1579 -294.0561 10.6188
3 6 4.2912 0.4737 -324.4253 3.9911
3 6 4.2912 0.7895 -353.0336 6.0284
3 6 4.2912 1.1053 -379.0132 81.2111
3 6 4.2912 1.4211 -370.7067 19.4417
3 6 4.2912 1.7368 -313.6642 187.1046
3 6 4.2912 2.0526 -381.0108 94.2868
3 6 4.2912 2.3684 -275.7804 108.2949
3 6 4.2912 2.6842 -310.1366 47.9957
3 6 4.2912 3.0000 -365.1342 117.2512
4 6 3.4658 -3.0000 -216.5584 81.2298
4 6 3.4658 -2.6842 -222.2739 335.6808
4 6 3.4658 -2.3684 166.9075 228.0721
4 6 3.4658 -2.0526 134.7644 175.1136
4 6 3.4658 -1.7368 -84.7995 21.6352
4 6 3.4658 -1.4211 -211.8141 228.4741
4 6 3.4658 -1.1053 -135.5074 90.2096
4 6 3.4658 -0.7895 -94.7026 10.5234
4 6 3.4658 -0.4737 -136.2719 4.7325
4 6 3.4658 -0.1579 -161.8061 3.6544
4 6 3.4658 0.1579 -184.0474 5.8382
4 6 3.4658 0.4737 -204.5849 4.6120
4 6 3.4658 0.7895 -240.1546 13.7303
4 6 3.4658 1.1053 -236.7582 64.5474
4 6 3.4658 1.4211 -158.0187 46.7066
4 6 3.4658 1.7368 -269.1874 51.7241
4 6 3.4658 2.0526 -279.7240 188.9009
4 6 3.4658 2.3684 -240.0976 73.3577
4 6 3.4658 2.6842 -103.0428 255.4406
4 6 3.4658 3.0000 -155.1815 32.7973
5 6 2.1014 -3.0000 197.5442 110.6968
5 6 2.1014 -2.6842 -181.1616 219.7171
5 6 2.1014 -2.3684 -167.4230 212.1649
5 6 2.1014 -2.0526 196.7753 180.1477
5 6 2.1014 -1.7368 -44.0988 42.5862
5 6 2.1014 -1.4211 125.6600 66.2726
5 6 2.1014 -1.1053 -0.2404 10.0773
5 6 2.1014 -0.7895 -55.0966 12.2473
5 6 2.1014 -0.4737 -49.8411 9.8368
5 6 2.1014 -0.1579 -92.5012 9.8537
5 6 2.1014 0.1579 -78.5198 16.4676
5 6 2.1014 0.4737 -116.0136 4.8319
5 6 2.1014 0.7895 -150.8258 7.2997
5 6 2.1014 1.1053 -202.6383 74.0386
5 6 2.1014 1.4211 -166.5596 29.1409
5 6 2.1014 1.7368 -164.6707 233.8362
5 6 2.1014 2.0526 -195.3259 207.8015
5 6 2.1014 2.3684 -24.5540 173.8308
5 6 2.1014 2.6842 -117.1351 59.1668
5 6 2.1014 3.0000 -107.2977 91.7442
6 6 0.7719 -3.0000 148.9658 160.2306
6 6 0.7719 -2.6842 104.7609 320.9372
6 6 0.7719 -2.3684 185.6084 163.5407
6 6 0.7719 -2.0526 245.1729 161.6426
6 6 0.7719 -1.7368 63.8152 18.0637
6 6 0.7719 -1.4211 5.3212 91.9707
6 6 0.7719 -1.1053 -12.4351 53.6154
6 6 0.7719 -0.7895 -3.4716 7.3609
6 6 0.7719 -0.4737 -36.7587 4.3130
6 6 0.7719 -0.1579 -62.3165 4.0377
6 6 0.7719 0.1579 -88.7226 10.5119
6 6 0.7719 0.4737 -108.1906 6.4180
6 6 0.7719 0.7895 -161.3320 17.7820
6 6 0.7719 1.1053 -137.7332 116.3223
6 6 0.7719 1.4211 -27.9375 82.5258
6 6 0.7719 1.7368 -205.9506 68.9519
6 6 0.7719 2.0526 -184.9374 193.8147
6 6 0.7719 2.3684 -118.7792 116.1176
6 6 0.7719 2.6842 58.2683 290.9565
6 6 0.7719 3.0000 -25.5889 51.2292
1 7 2.5812 -3.0000 90.4340 57.8973
1 7 2.5812 -2.6842 -90.0456 124.6618
1 7 2.5812 -2.3684 -123.5017 145.8149
1 7 2.5812 -2.0526 148.1657 145.8470
1 7 2.5812 -1.7368 -62.8780 45.7032
1 7 2.5812 -1.4211 215.4828 86.5051
1 7 2.5812 -1.1053 64.2229 10.1692
1 7 2.5812 -0.7895 19.5661 5.9106
1 7 2.5812 -0.4737 -8.3460 4.8167
1 7 2.5812 -0.1579 -47.6059 13.6955
1 7 2.5812 0.1579 -3.4652 26.4168
1 7 2.5812 0.4737 -53.4848 5.9809
1 7 2.5812 0.7895 -97.8102 9.7417
1 7 2.5812 1.1053 -174.5363 110.7477
1 7 2.5812 1.4211 -83.0827 42.6109
1 7 2.5812 1.7368 -159.3379 294.8341
1 7 2.5812 2.0526 -178.9343 259.4012
1 7 2.5812 2.3684 135.8231 292.0489
1 7 2.5812 2.6842 -3.9042 38.4374
1 7 2.5812 3.0000 -20.7202 96.7445
2 7 3.6639 -3.0000 73.2070 174.8611
2 7 3.6639 -2.6842 -42.5532 99.2725
2 7 3.6639 -2.3684 40.2328 193.2949
2 7 3.6639 -2.0526 211.1341 193.9000
2 7 3.6639 -1.7368 11.8362 18.1032
2 7 3.6639 -1.4211 -29.2622 27.5060
2 7 3.6639 -1.1053 -97.9055 68.8089
2 7 3.6639 -0.7895 -38.7371 8.1836
2 7 3.6639 -0.4737 -72.0829 4.0994
2 7 3.6639 -0.1579 -96.8251 4.1371
2 7 3.6639 0.1579 -124.6146 18.4551
2 7 3.6639 0.4737 -134.0747 8.0706
2 7 3.6639 0.7895 -186.5670 32.5314
2 7 3.6639 1.1053 -173.5612 97.6704
2 7 3.6639 1.4211 -32.9417 90.7019
2 7 3.6639 1.7368 -225.3817 61.7973
2 7 3.6639 2.0526 -231.9897 263.4280
2 7 3.6639 2.3684 -110.1964 179.8877
2 7 3.6639 2.6842 73.2319 284.8060
2 7 3.6639 3.0000 1.7602 48.0619
3 7 5.7677 -3.0000 126.2372 50.1918
3 7 5.7677 -2.6842 -8.2125 96.2319
3 7 5.7677 -2.3684 -45.6910 121.4685
3 7 5.7677 -2.0526 142.2095 123.4789
3 7 5.7677 -1.7368 -21.5067 35.6956
3 7 5.7677 -1.4211 156.6199 59.5909
3 7 5.7677 -1.1053 50.4286 8.1300
3 7 5.7677 -0.7895 5.8144 10.5568
3 7 5.7677 -0.4737 10.2098 8.8040
3 7 5.7677 -0.1579 -34.8687 13.2029
3 7 5.7677 0.1579 7.2979 23.7603
3 7 5.7677 0.4737 -41.2769 5.8362
3 7 5.7677 0.7895 -84.4232 9.4518
3 7 5.7677 1.1053 -150.8175 115.5866
3 7 5.7677 1.4211 -78.9755 39.0941
3 7 5.7677 1.7368 -95.8556 276.8166
3 7 5.7677 2.0526 -185.6877 238.8691
3 7 5.7677 2.3684 169.1586 278.5023
3 7 5.7677 2.6842 13.6426 63.9468
3 7 5.7677 3.0000 2.0104 252.0594
4 7 7.9743 -3.0000 104.2736 99.2773
4 7 7.9743 -2.6842 25.6927 84.0926
4 7 7.9743 -2.3684 119.6925 110.0273
4 7 7.9743 -2.0526 158.8252 95.0827
4 7 7.9743 -1.7368 52.6229 12.8009
4 7 7.9743 -1.4211 37.4209 30.8313
4 7 7.9743 -1.1053 12.5716 27.2510
4 7 7.9743 -0.7895 13.7560 4.2054
4 7 7.9743 -0.4737 -6.9272 2.9302
4 7 7.9743 -0.1579 -26.0045 3.3755
4 7 7.9743 0.1579 -48.3337 12.9236
4 7 7.9743 0.4737 -59.1823 7.6881
4 7 7.9743 0.7895 -101.7146 39.8013
4 7 7.9743 1.1053 -114.5130 82.4898
4 7 7.9743 1.4211 45.5439 86.4807
4 7 7.9743 1.7368 -131.3697 74.5524
4 7 7.9743 2.0526 -162.2619 226.8838
4 7 7.9743 2.3684 -39.0916 206.0278
4 7 7.9743 2.6842 122.0543 264.1276
4 7 7.9743 3.0000 93.9248 50.7153
5 7 9.6587 -3.0000 102.2450 35.3963
5 7 9.6587 -2.6842 10.9285 56.9708
5 7 9.6587 -2.3684 -24.6965 63.0343
5 7 9.6587 -2.0526 70.7947 53.1757
5 7 9.6587 -1.7368 1.9683 12.7461
5 7 9.6587 -1.4211 33.7967 16.6116
5 7 9.6587 -1.1053 -0.8465 3.4136
5 7 9.6587 -0.7895 -20.7701 4.0849
5 7 9.6587 -0.4737 -31.9619 3.9668
5 7 9.6587 -0.1579 -63.4408 11.5626
5 7 9.6587 0.1579 -22.2923 22.5369
5 7 9.6587 0.4737 -65.9539 5.3898
5 7 9.6587 0.7895 -107.0609 9.1844
5 7 9.6587 1.1053 -190.7450 98.3674
5 7 9.6587 1.4211 -93.9242 41.6740
5 7 9.6587 1.7368 -125.4695 280.4298
5 7 9.6587 2.0526 -183.4231 337.0551
5 7 9.6587 2.3684 177.2177 331.0567
5 7 9.6587 2.6842 23.6580 65.7347
5 7 9.6587 3.0000 3.4810 135.2742
6 7 10.2921 -3.0000 67.9238 59.6285
6 7 10.2921 -2.6842 55.4151 86.5539
6 7 10.2921 -2.3684 43.4566 36.5330
6 7 10.2921 -2.0526 64.9766 44.1513
6 7 10.2921 -1.7368 16.2912 5.5758
6 7 10.2921 -1.4211 1.1029 12.0957
6 7 10.2921 -1.1053 -14.3712 10.4518
6 7 10.2921 -0.7895 -20.7954 2.5227
6 7 10.2921 -0.4737 -35.5576 2.3831
6 7 10.2921 -0.1579 -52.8017 3.3991
6 7 10.2921 0.1579 -78.5984 24.0612
6 7 10.2921 0.4737 -75.7218 8.1878
6 7 10.2921 0.7895 -135.1507 27.8728
6 7 10.2921 1.1053 -144.2052 97.1135
6 7 10.2921 1.4211 39.2437 97.8461
6 7 10.2921 1.7368 -134.9486 132.2140
6 7 10.2921 2.0526 -167.7988 240.6024
6 7 10.2921 2.3684 -36.4467 208.9221
6 7 10.2921 2.6842 141.1227 251.8756
6 7 10.2921 3.0000 79.6890 53.8537
1 8 4.1583 -3.0000 -159.4306 65.2148
1 8 4.1583 -2.6842 -477.7954 209.4676
1 8 4.1583 -2.3684 -423.9632 204.4985
1 8 4.1583 -2.0526 60.6794 284.5859
1 8 4.1583 -1.7368 -395.5681 110.6868
1 8 4.1583 -1.4211 464.6834 241.3238
1 8 4.1583 -1.1053 61.3893 23.5524
1 8 4.1583 -0.7895 -30.3762 10.6461
1 8 4.1583 -0.4737 -69.2228 5.6503
1 8 4.1583 -0.1579 -96.8678 3.7820
1 8 4.1583 0.1579 -113.4580 3.1489
1 8 4.1583 0.4737 -129.2524 2.2359
1 8 4.1583 0.7895 -142.8534 2.1731
1 8 4.1583 1.1053 -157.6787 5.3929
1 8 4.1583 1.4211 -171.0214 5.0863
1 8 4.1583 1.7368 -150.6377 58.0119
1 8 4.1583 2.0526 -180.9811 28.1946
1 8 4.1583 2.3684 -150.5325 31.6475
1 8 4.1583 2.6842 -194.4488 11.6223
1 8 4.1583 3.0000 -207.1452 100.6728
2 8 4.3610 -3.0000 -79.4081 139.4876
2 8 4.3610 -2.6842 -142.8829 204.7061
2 8 4.3610 -2.3684 193.4675 364.2735
2 8 4.3610 -2.0526 362.9925 287.2985
2 8 4.3610 -1.7368 48.7211 24.4441
2 8 4.3610 -1.4211 -55.7062 73.0834
2 8 4.3610 -1.1053 -218.2281 221.2281
2 8 4.3610 -0.7895 63.9246 20.4435
2 8 4.3610 -0.4737 -1.8256 6.1053
2 8 4.3610 -0.1579 -30.8383 3.6461
2 8 4.3610 0.1579 -50.8757 3.9351
2 8 4.3610 0.4737 -66.7357 2.8966
2 8 4.3610 0.7895 -86.7625 6.4080
2 8 4.3610 1.1053 -91.2461 19.9069
2 8 4.3610 1.4211 -72.7820 17.0145
2 8 4.3610 1.7368 -124.1745 13.4210
2 8 4.3610 2.0526 -139.7735 91.8308
2 8 4.3610 2.3684 -149.3549 57.4471
2 8 4.3610 2.6842 2.4644 150.2141
2 8 4.3610 3.0000 -53.2341 17.2191
3 8 5.7677 -3.0000 126.2482 50.1927
3 8 5.7677 -2.6842 -8.2061 96.2331
3 8 5.7677 -2.3684 -45.6870 121.4605
3 8 5.7677 -2.0526 142.2086 123.4778
3 8 5.7677 -1.7368 -21.5125 35.6983
3 8 5.7677 -1.4211 156.6334 59.5960
3 8 5.7677 -1.1053 50.4343 8.1305
3 8 5.7677 -0.7895 5.8183 10.5555
3 8 5.7677 -0.4737 10.2163 8.8048
3 8 5.7677 -0.1579 -34.8640 13.2027
3 8 5.7677 0.1579 7.2983 23.7598
3 8 5.7677 0.4737 -41.2764 5.8363
3 8 5.7677 0.7895 -84.4243 9.4523
3 8 5.7677 1.1053 -150.8237 115.5918
3 8 5.7677 1.4211 -78.9669 39.0951
3 8 5.7677 1.7368 -95.8656 276.8043
3 8 5.7677 2.0526 -185.6957 238.8701
3 8 5.7677 2.3684 169.1624 278.5158
3 8 5.7677 2.6842 13.6507 63.9517
3 8 5.7677 3.0000 2.0068 252.0631
4 8 7.9743 -3.0000 104.2802 99.2801
4 8 7.9743 -2.6842 25.6911 84.0956
4 8 7.9743 -2.3684 119.7131 110.0369
4 8 7.9743 -2.0526 158.8329 95.0819
4 8 7.9743 -1.7368 52.6288 12.8010
4 8 7.9743 -1.4211 37.4132 30.8509
4 8 7.9743 -1.1053 12.5761 27.2552
4 8 7.9743 -0.7895 13.7641 4.2058
4 8 7.9743 -0.4737 -6.9206 2.9304
4 8 7.9743 -0.1579 -25.9986 3.3756
4 8 7.9743 0.1579 -48.3283 12.9237
4 8 7.9743 0.4737 -59.1770 7.6880
4 8 7.9743 0.7895 -101.7097 39.7995
4 8 7.9743 1.1053 -114.5057 82.4921
4 8 7.9743 1.4211 45.5428 86.4771
4 8 7.9743 1.7368 -131.3689 74.5425
4 8 7.9743 2.0526 -162.2675 226.8886
4 8 7.9743 2.3684 -39.0932 206.0323
4 8 7.9743 2.6842 122.0627 264.1423
4 8 7.9743 3.0000 93.9370 50.7140
5 8 9.6587 -3.0000 102.2562 35.3980
5 8 9.6587 -2.6842 10.9193 56.9780
5 8 9.6587 -2.3684 -24.6857 63.0366
5 8 9.6587 -2.0526 70.8032 53.1759
5 8 9.6587 -1.7368 1.9746 12.7467
5 8 9.6587 -1.4211 33.8066 16.6129
5 8 9.6587 -1.1053 -0.8393 3.4138
5 8 9.6587 -0.7895 -20.7640 4.0850
5 8 9.6587 -0.4737 -31.9554 3.9670
5 8 9.6587 -0.1579 -63.4347 11.5626
5 8 9.6587 0.1579 -22.2869 22.5369
5 8 9.6587 0.4737 -65.9484 5.3898
5 8 9.6587 0.7895 -107.0554 9.1844
5 8 9.6587 1.1053 -190.7385 98.3690
5 8 9.6587 1.4211 -93.9175 41.6735
5 8 9.6587 1.7368 -125.4520 280.4251
5 8 9.6587 2.0526 -183.4152 337.0523
5 8 9.6587 2.3684 177.2234 331.0572
5 8 9.6587 2.6842 23.6688 65.7305
5 8 9.6587 3.0000 3.4780 135.2640
6 8 10.2921 -3.0000 67.9289 59.6276
6 8 10.2921 -2.6842 55.4184 86.5583
6 8 10.2921 -2.3684 43.4696 36.5370
6 8 10.2921 -2.0526 64.9812 44.1495
6 8 10.2921 -1.7368 16.2957 5.5758
6 8 10.2921 -1.4211 1.1066 12.0982
6 8 10.2921 -1.1053 -14.3665 10.4511
6 8 10.2921 -0.7895 -20.7918 2.5227
6 8 10.2921 -0.4737 -35.5542 2.3831
6 8 10.2921 -0.1579 -52.7986 3.3991
6 8 10.2921 0.1579 -78.5966 24.0639
6 8 10.2921 0.4737 -75.7177 8.1879
6 8 10.2921 0.7895 -135.1469 27.8729
6 8 10.2921 1.1053 -144.1989 97.1141
6 8 10.2921 1.4211 39.2415 97.8385
6 8 10.2921 1.7368 -134.9450 132.2151
6 8 10.2921 2.0526 -167.7941 240.6024
6 8 10.2921 2.3684 -36.4396 208.9223
6 8 10.2921 2.6842 141.1383 251.8648
6 8 10.2921 3.0000 79.6933 53.8486
===================================================================
Memory usage: VmHWM = 166Mb
VmPeak = 911Mb
===================================================================
Unfolding on the coarse grid
elphon_wrap : 0.00s CPU 0.01s WALL ( 1 calls)
INITIALIZATION:
Electron-Phonon interpolation
ep-interp : 0.09s CPU 0.09s WALL ( 125 calls)
ep-int-ahc : 0.02s CPU 0.05s WALL ( 1 calls)
wigner_seitz : 0.00s CPU 0.00s WALL ( 1 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 133 calls)
HamW2B : 0.01s CPU 0.01s WALL ( 665 calls)
ephW2Bp_opt : 0.04s CPU 0.05s WALL ( 134 calls)
ephW2Bp_s23 : 0.01s CPU 0.02s WALL ( 11 calls)
ephW2Bp_s3 : 0.01s CPU 0.01s WALL ( 31 calls)
ephW2Bp_g3 : 0.02s CPU 0.02s WALL ( 134 calls)
ephW2B : 0.01s CPU 0.01s WALL ( 316 calls)
sthW2Bp : 0.00s CPU 0.00s WALL ( 16 calls)
vmeW2B : 0.01s CPU 0.01s WALL ( 500 calls)
rgd_blk_epw : 0.01s CPU 0.01s WALL ( 268 calls)
selfen_elec_ : 0.03s CPU 0.03s WALL ( 125 calls)
Total program execution
EPW : 0.14s CPU 0.40s WALL
% Copyright (C) 2016-2023 EPW-Collaboration
===============================================================================
Please consider citing the following papers.
% Paper describing the method on which EPW relies
F. Giustino and M. L. Cohen and S. G. Louie, Phys. Rev. B 76, 165108 (2007)
% Papers describing the EPW software
H. Lee et al., npj Comput. Mater. 9, 156 (2023)
S. Ponc\'e, E.R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
J. Noffsinger et al., Comput. Phys. Commun. 181, 2140 (2010)
% Since you used the [lpolar] input, please consider also citing
C. Verdi and F. Giustino, Phys. Rev. Lett. 115, 176401 (2015)
% Since you used the [lwfpt] input, please consider also citing
J.-M. Lihm and C.-H. Park, PRX 11, 041053 (2021)
For your convenience, this information is also reported in the
functionality-dependent EPW.bib file.
===============================================================================