mirror of https://gitlab.com/QEF/q-e.git
2833 lines
217 KiB
Plaintext
2833 lines
217 KiB
Plaintext
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``:oss/
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`.+s+. .+ys--yh+ `./ss+.
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-sh//yy+` +yy +yy -+h+-oyy
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-yh- .oyy/.-sh. .syo-.:sy- /yh
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`.-.` `yh+ -oyyyo. `/syys: oys `.`
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`/+ssys+-` `sh+ ` oys` .:osyo`
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-yh- ./syyooyo` .sys+/oyo--yh/
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`yy+ .-:-. `-/+/:` -sh-
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/yh. oys
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``..---hho---------` .---------..` `.-----.` -hd+---.
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`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
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+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
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-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
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-yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo`
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.sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh:
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`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
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`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
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+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
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syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
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/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
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-yh- ```````````````` ````````` `` `` oys
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-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
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shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
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Lee, H., Poncé, S., Bushick, K., Hajinazar, S., Lafuente-Bartolome, J.,Leveillee, J.,
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Lian, C., Lihm, J., Macheda, F., Mori, H., Paudyal, H., Sio, W., Tiwari, S.,
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Zacharias, M., Zhang, X., Bonini, N., Kioupakis, E., Margine, E.R., and Giustino F.,
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npj Comput Mater 9, 156 (2023)
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Program EPW v.5.8 starts on 9Jan2024 at 13:28:54
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This program is part of the open-source Quantum ESPRESSO suite
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for quantum simulation of materials; please cite
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"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
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"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
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"P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
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URL http://www.quantum-espresso.org",
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in publications or presentations arising from this work. More details at
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http://www.quantum-espresso.org/quote
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Parallel version (MPI), running on 4 processors
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MPI processes distributed on 1 nodes
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K-points division: npool = 4
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35813 MiB available memory on the printing compute node when the environment starts
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Reading input from epw4.in
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Reading supplied temperature list.
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------------------------------------------------------------------------
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RESTART - RESTART - RESTART - RESTART
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Restart is done without reading PWSCF save file.
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Be aware that some consistency checks are therefore not done.
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------------------------------------------------------------------------
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--
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bravais-lattice index = 0
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lattice parameter (a_0) = 0.0000 a.u.
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unit-cell volume = 0.0000 (a.u.)^3
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number of atoms/cell = 0
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number of atomic types = 0
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kinetic-energy cut-off = 0.0000 Ry
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charge density cut-off = 0.0000 Ry
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Exchange-correlation= not set
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( -1 -1 -1 -1 -1 -1 -1)
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celldm(1)= 0.00000 celldm(2)= 0.00000 celldm(3)= 0.00000
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celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
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crystal axes: (cart. coord. in units of a_0)
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a(1) = ( 0.0000 0.0000 0.0000 )
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a(2) = ( 0.0000 0.0000 0.0000 )
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a(3) = ( 0.0000 0.0000 0.0000 )
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reciprocal axes: (cart. coord. in units 2 pi/a_0)
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b(1) = ( 0.0000 0.0000 0.0000 )
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b(2) = ( 0.0000 0.0000 0.0000 )
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b(3) = ( 0.0000 0.0000 0.0000 )
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Atoms inside the unit cell:
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Cartesian axes
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site n. atom mass positions (a_0 units)
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No symmetry!
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G cutoff = 0.0000 ( 0 G-vectors) FFT grid: ( 0, 0, 0)
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number of k points= 0
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cart. coord. in units 2pi/a_0
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EPW : 0.00s CPU 0.00s WALL
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EPW : 0.00s CPU 0.00s WALL
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-------------------------------------------------------------------
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Using diam.ukk from disk
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-------------------------------------------------------------------
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Symmetries of Bravais lattice: 48
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Symmetries of crystal: 48
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Do not need to read .epb files; read .fmt files
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Use zone-centred Wigner-Seitz cells
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Number of WS vectors for electrons 43
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Number of WS vectors for phonons 43
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Number of WS vectors for electron-phonon 43
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Maximum number of cores for efficient parallelization 258
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Results may improve by using use_ws == .TRUE.
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Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
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Finished reading Wann rep data from file
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===================================================================
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Memory usage: VmHWM = 54Mb
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VmPeak = 3746Mb
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===================================================================
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Using q-mesh file: path.dat
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Size of q point mesh for interpolation: 201
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Using k-mesh file: path.dat
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Size of k point mesh for interpolation: 402
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Max number of k points per pool: 102
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Fermi energy coarse grid = 14.009579 eV
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===================================================================
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Fermi energy corresponds to the coarse k-mesh
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===================================================================
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ibndmin = 1 ebndmin = -0.944 eV
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ibndmax = 4 ebndmax = 13.891 eV
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Number of ep-matrix elements per pool : 4896 ~= 38.25 Kb (@ 8 bytes/ DP)
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A selecq.fmt file was found but re-created because selecqread == .FALSE.
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Number selected, total 100 100
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Number selected, total 200 200
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We only need to compute 201 q-points
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===================================================================
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Electron (Imaginary) Self-Energy in the Migdal Approximation
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===================================================================
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Fermi Surface thickness = 15.000000 eV
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Golden Rule strictly enforced with T = 0.025852 eV
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Gaussian Broadening: 1.000000 eV, ngauss= 1
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Progression iq (fine) = 100/ 201
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Progression iq (fine) = 200/ 201
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Average over degenerate eigenstates is performed
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Temperature: 300.000K
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WARNING: only the eigenstates within the Fermi window are meaningful
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ik = 1 coord.: 0.5000000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.0314 eV Re[Sigma]= -92.996738 meV Im[Sigma]= 488.115342 meV Z= 1.264571 lam= -0.209218
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E( 2 )= -0.4915 eV Re[Sigma]= -6.735365 meV Im[Sigma]= 441.625612 meV Z= 1.213161 lam= -0.175707
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E( 3 )= 10.6149 eV Re[Sigma]= -63.565151 meV Im[Sigma]= 440.798840 meV Z= 1.183987 lam= -0.155396
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E( 4 )= 10.6149 eV Re[Sigma]= -63.565151 meV Im[Sigma]= 440.798840 meV Z= 1.183987 lam= -0.155396
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-------------------------------------------------------------------
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ik = 2 coord.: 0.4950000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.0404 eV Re[Sigma]= -104.297675 meV Im[Sigma]= 502.473839 meV Z= 1.276185 lam= -0.216414
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E( 2 )= -0.4805 eV Re[Sigma]= -2.765794 meV Im[Sigma]= 446.125170 meV Z= 1.220973 lam= -0.180981
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E( 3 )= 10.6157 eV Re[Sigma]= -59.643196 meV Im[Sigma]= 450.579003 meV Z= 1.196718 lam= -0.164381
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E( 4 )= 10.6157 eV Re[Sigma]= -59.643196 meV Im[Sigma]= 450.579003 meV Z= 1.196718 lam= -0.164381
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-------------------------------------------------------------------
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ik = 3 coord.: 0.4900000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.0668 eV Re[Sigma]= -121.821222 meV Im[Sigma]= 494.037974 meV Z= 1.265693 lam= -0.209919
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E( 2 )= -0.4481 eV Re[Sigma]= 6.497713 meV Im[Sigma]= 427.716043 meV Z= 1.207956 lam= -0.172155
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E( 3 )= 10.6184 eV Re[Sigma]= -55.208473 meV Im[Sigma]= 460.454903 meV Z= 1.210180 lam= -0.173677
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E( 4 )= 10.6184 eV Re[Sigma]= -55.208473 meV Im[Sigma]= 460.454903 meV Z= 1.210180 lam= -0.173677
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-------------------------------------------------------------------
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ik = 4 coord.: 0.4850000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.1086 eV Re[Sigma]= -142.717304 meV Im[Sigma]= 466.204247 meV Z= 1.238538 lam= -0.192597
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E( 2 )= -0.3962 eV Re[Sigma]= 18.479412 meV Im[Sigma]= 391.104338 meV Z= 1.179363 lam= -0.152085
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E( 3 )= 10.6228 eV Re[Sigma]= -50.227154 meV Im[Sigma]= 470.295213 meV Z= 1.224090 lam= -0.183066
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E( 4 )= 10.6228 eV Re[Sigma]= -50.227154 meV Im[Sigma]= 470.295213 meV Z= 1.224090 lam= -0.183066
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-------------------------------------------------------------------
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ik = 5 coord.: 0.4800000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.1632 eV Re[Sigma]= -163.855429 meV Im[Sigma]= 425.858086 meV Z= 1.203919 lam= -0.169380
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E( 2 )= -0.3275 eV Re[Sigma]= 30.271256 meV Im[Sigma]= 344.080653 meV Z= 1.143903 lam= -0.125800
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E( 3 )= 10.6289 eV Re[Sigma]= -44.677969 meV Im[Sigma]= 479.956190 meV Z= 1.238036 lam= -0.192269
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E( 4 )= 10.6289 eV Re[Sigma]= -44.677969 meV Im[Sigma]= 479.956190 meV Z= 1.238036 lam= -0.192269
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-------------------------------------------------------------------
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ik = 6 coord.: 0.4750000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.2281 eV Re[Sigma]= -183.030837 meV Im[Sigma]= 380.380774 meV Z= 1.169311 lam= -0.144795
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E( 2 )= -0.2445 eV Re[Sigma]= 39.818882 meV Im[Sigma]= 294.535939 meV Z= 1.108892 lam= -0.098199
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E( 3 )= 10.6367 eV Re[Sigma]= -38.557887 meV Im[Sigma]= 489.285372 meV Z= 1.251475 lam= -0.200943
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E( 4 )= 10.6367 eV Re[Sigma]= -38.557887 meV Im[Sigma]= 489.285372 meV Z= 1.251475 lam= -0.200943
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-------------------------------------------------------------------
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ik = 7 coord.: 0.4700000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.3010 eV Re[Sigma]= -199.235312 meV Im[Sigma]= 335.224398 meV Z= 1.138164 lam= -0.121392
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E( 2 )= -0.1496 eV Re[Sigma]= 46.251054 meV Im[Sigma]= 248.239066 meV Z= 1.078375 lam= -0.072678
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E( 3 )= 10.6463 eV Re[Sigma]= -31.887628 meV Im[Sigma]= 498.126601 meV Z= 1.263754 lam= -0.208706
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E( 4 )= 10.6463 eV Re[Sigma]= -31.887628 meV Im[Sigma]= 498.126601 meV Z= 1.263754 lam= -0.208706
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-------------------------------------------------------------------
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ik = 8 coord.: 0.4650000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.3799 eV Re[Sigma]= -212.255932 meV Im[Sigma]= 293.092847 meV Z= 1.110501 lam= -0.099506
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E( 2 )= -0.0448 eV Re[Sigma]= 49.599218 meV Im[Sigma]= 208.144207 meV Z= 1.053684 lam= -0.050949
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E( 3 )= 10.6576 eV Re[Sigma]= -24.715745 meV Im[Sigma]= 506.326334 meV Z= 1.274171 lam= -0.215176
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E( 4 )= 10.6576 eV Re[Sigma]= -24.715745 meV Im[Sigma]= 506.326334 meV Z= 1.274171 lam= -0.215176
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-------------------------------------------------------------------
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ik = 9 coord.: 0.4600000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.4632 eV Re[Sigma]= -222.129686 meV Im[Sigma]= 254.549363 meV Z= 1.084784 lam= -0.078158
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E( 2 )= 0.0686 eV Re[Sigma]= 50.355813 meV Im[Sigma]= 174.940314 meV Z= 1.034627 lam= -0.033468
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E( 3 )= 10.6706 eV Re[Sigma]= -17.119594 meV Im[Sigma]= 513.741054 meV Z= 1.282078 lam= -0.220016
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E( 4 )= 10.6706 eV Re[Sigma]= -17.119594 meV Im[Sigma]= 513.741054 meV Z= 1.282078 lam= -0.220016
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-------------------------------------------------------------------
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ik = 10 coord.: 0.4550000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.5499 eV Re[Sigma]= -228.847055 meV Im[Sigma]= 219.189037 meV Z= 1.060071 lam= -0.056667
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E( 2 )= 0.1891 eV Re[Sigma]= 49.177296 meV Im[Sigma]= 148.052994 meV Z= 1.020387 lam= -0.019980
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E( 3 )= 10.6853 eV Re[Sigma]= -9.203472 meV Im[Sigma]= 520.245372 meV Z= 1.286997 lam= -0.222998
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E( 4 )= 10.6853 eV Re[Sigma]= -9.203472 meV Im[Sigma]= 520.245372 meV Z= 1.286997 lam= -0.222998
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-------------------------------------------------------------------
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ik = 11 coord.: 0.4500000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.6391 eV Re[Sigma]= -232.416730 meV Im[Sigma]= 186.594277 meV Z= 1.037200 lam= -0.035866
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E( 2 )= 0.3160 eV Re[Sigma]= 46.694072 meV Im[Sigma]= 126.450409 meV Z= 1.009970 lam= -0.009871
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E( 3 )= 10.7016 eV Re[Sigma]= -1.091289 meV Im[Sigma]= 525.740311 meV Z= 1.288739 lam= -0.224048
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E( 4 )= 10.7016 eV Re[Sigma]= -1.091289 meV Im[Sigma]= 525.740311 meV Z= 1.288739 lam= -0.224048
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-------------------------------------------------------------------
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ik = 12 coord.: 0.4450000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.7300 eV Re[Sigma]= -233.081788 meV Im[Sigma]= 156.757630 meV Z= 1.017954 lam= -0.017638
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E( 2 )= 0.4486 eV Re[Sigma]= 43.402635 meV Im[Sigma]= 109.102765 meV Z= 1.002442 lam= -0.002436
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E( 3 )= 10.7196 eV Re[Sigma]= 7.085898 meV Im[Sigma]= 530.161026 meV Z= 1.287456 lam= -0.223274
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E( 4 )= 10.7196 eV Re[Sigma]= 7.085898 meV Im[Sigma]= 530.161026 meV Z= 1.287456 lam= -0.223274
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-------------------------------------------------------------------
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ik = 13 coord.: 0.4400000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.8223 eV Re[Sigma]= -231.387097 meV Im[Sigma]= 130.046022 meV Z= 1.003417 lam= -0.003406
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E( 2 )= 0.5863 eV Re[Sigma]= 39.668552 meV Im[Sigma]= 95.142969 meV Z= 0.997028 lam= 0.002981
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E( 3 )= 10.7392 eV Re[Sigma]= 15.203059 meV Im[Sigma]= 533.483191 meV Z= 1.283623 lam= -0.220955
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E( 4 )= 10.7392 eV Re[Sigma]= 15.203059 meV Im[Sigma]= 533.483191 meV Z= 1.283623 lam= -0.220955
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-------------------------------------------------------------------
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ik = 14 coord.: 0.4350000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -2.9156 eV Re[Sigma]= -228.022275 meV Im[Sigma]= 106.938066 meV Z= 0.993409 lam= 0.006634
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E( 2 )= 0.7288 eV Re[Sigma]= 35.743654 meV Im[Sigma]= 83.881188 meV Z= 0.993131 lam= 0.006917
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E( 3 )= 10.7605 eV Re[Sigma]= 23.154102 meV Im[Sigma]= 535.727206 meV Z= 1.277940 lam= -0.217491
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E( 4 )= 10.7605 eV Re[Sigma]= 23.154102 meV Im[Sigma]= 535.727206 meV Z= 1.277940 lam= -0.217491
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-------------------------------------------------------------------
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ik = 15 coord.: 0.4300000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -3.0096 eV Re[Sigma]= -223.626975 meV Im[Sigma]= 87.753194 meV Z= 0.987016 lam= 0.013155
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E( 2 )= 0.8756 eV Re[Sigma]= 31.792024 meV Im[Sigma]= 74.779081 meV Z= 0.990324 lam= 0.009770
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E( 3 )= 10.7833 eV Re[Sigma]= 30.861521 meV Im[Sigma]= 536.959512 meV Z= 1.271193 lam= -0.213337
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E( 4 )= 10.7833 eV Re[Sigma]= 30.861521 meV Im[Sigma]= 536.959512 meV Z= 1.271193 lam= -0.213337
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-------------------------------------------------------------------
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ik = 16 coord.: 0.4250000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -3.1040 eV Re[Sigma]= -218.691774 meV Im[Sigma]= 72.498248 meV Z= 0.983209 lam= 0.017077
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E( 2 )= 1.0267 eV Re[Sigma]= 27.916870 meV Im[Sigma]= 67.425704 meV Z= 0.988318 lam= 0.011820
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E( 3 )= 10.8076 eV Re[Sigma]= 38.281091 meV Im[Sigma]= 537.290499 meV Z= 1.264117 lam= -0.208934
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E( 4 )= 10.8076 eV Re[Sigma]= 38.281091 meV Im[Sigma]= 537.290499 meV Z= 1.264117 lam= -0.208934
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-------------------------------------------------------------------
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ik = 17 coord.: 0.4200000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -3.1987 eV Re[Sigma]= -213.548760 meV Im[Sigma]= 60.859338 meV Z= 0.981152 lam= 0.019210
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E( 2 )= 1.1816 eV Re[Sigma]= 24.185096 meV Im[Sigma]= 61.530474 meV Z= 0.986917 lam= 0.013256
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E( 3 )= 10.8335 eV Re[Sigma]= 45.401472 meV Im[Sigma]= 536.868811 meV Z= 1.257304 lam= -0.204647
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E( 4 )= 10.8335 eV Re[Sigma]= 45.401472 meV Im[Sigma]= 536.868811 meV Z= 1.257304 lam= -0.204647
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-------------------------------------------------------------------
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ik = 18 coord.: 0.4150000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -3.2937 eV Re[Sigma]= -208.401733 meV Im[Sigma]= 52.298451 meV Z= 0.980246 lam= 0.020152
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E( 2 )= 1.3404 eV Re[Sigma]= 20.649278 meV Im[Sigma]= 56.903188 meV Z= 0.985989 lam= 0.014210
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E( 3 )= 10.8608 eV Re[Sigma]= 52.239780 meV Im[Sigma]= 535.872256 meV Z= 1.251157 lam= -0.200740
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E( 4 )= 10.8608 eV Re[Sigma]= 52.239780 meV Im[Sigma]= 535.872256 meV Z= 1.251157 lam= -0.200740
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-------------------------------------------------------------------
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ik = 19 coord.: 0.4100000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -3.3887 eV Re[Sigma]= -203.373003 meV Im[Sigma]= 46.188046 meV Z= 0.980090 lam= 0.020315
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E( 2 )= 1.5028 eV Re[Sigma]= 17.344419 meV Im[Sigma]= 53.294999 meV Z= 0.985408 lam= 0.014808
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E( 3 )= 10.8897 eV Re[Sigma]= 58.833980 meV Im[Sigma]= 534.495941 meV Z= 1.245891 lam= -0.197362
|
|
E( 4 )= 10.8897 eV Re[Sigma]= 58.833980 meV Im[Sigma]= 534.495941 meV Z= 1.245891 lam= -0.197362
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.4050000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.4838 eV Re[Sigma]= -198.543884 meV Im[Sigma]= 41.927027 meV Z= 0.980411 lam= 0.019981
|
|
E( 2 )= 1.6686 eV Re[Sigma]= 14.265717 meV Im[Sigma]= 50.413165 meV Z= 0.985086 lam= 0.015140
|
|
E( 3 )= 10.9199 eV Re[Sigma]= 65.234254 meV Im[Sigma]= 532.938632 meV Z= 1.241561 lam= -0.194562
|
|
E( 4 )= 10.9199 eV Re[Sigma]= 65.234254 meV Im[Sigma]= 532.938632 meV Z= 1.241561 lam= -0.194562
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.4000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.5788 eV Re[Sigma]= -193.983063 meV Im[Sigma]= 39.010185 meV Z= 0.981020 lam= 0.019347
|
|
E( 2 )= 1.8378 eV Re[Sigma]= 11.352446 meV Im[Sigma]= 48.020223 meV Z= 0.984988 lam= 0.015241
|
|
E( 3 )= 10.9515 eV Re[Sigma]= 71.494883 meV Im[Sigma]= 531.388612 meV Z= 1.238100 lam= -0.192311
|
|
E( 4 )= 10.9515 eV Re[Sigma]= 71.494883 meV Im[Sigma]= 531.388612 meV Z= 1.238100 lam= -0.192311
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.3950000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.6737 eV Re[Sigma]= -189.693591 meV Im[Sigma]= 37.050674 meV Z= 0.981808 lam= 0.018529
|
|
E( 2 )= 2.0103 eV Re[Sigma]= 8.615258 meV Im[Sigma]= 46.182468 meV Z= 0.985115 lam= 0.015110
|
|
E( 3 )= 10.9845 eV Re[Sigma]= 77.673231 meV Im[Sigma]= 530.010388 meV Z= 1.235365 lam= -0.190523
|
|
E( 4 )= 10.9845 eV Re[Sigma]= 77.673231 meV Im[Sigma]= 530.010388 meV Z= 1.235365 lam= -0.190523
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.3900000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.7685 eV Re[Sigma]= -185.654741 meV Im[Sigma]= 35.770608 meV Z= 0.982705 lam= 0.017599
|
|
E( 2 )= 2.1858 eV Re[Sigma]= 6.097893 meV Im[Sigma]= 44.894287 meV Z= 0.985449 lam= 0.014765
|
|
E( 3 )= 11.0188 eV Re[Sigma]= 83.823482 meV Im[Sigma]= 528.933531 meV Z= 1.233170 lam= -0.189082
|
|
E( 4 )= 11.0188 eV Re[Sigma]= 83.823482 meV Im[Sigma]= 528.933531 meV Z= 1.233170 lam= -0.189082
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.3850000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.8631 eV Re[Sigma]= -181.853017 meV Im[Sigma]= 34.977343 meV Z= 0.983664 lam= 0.016608
|
|
E( 2 )= 2.3644 eV Re[Sigma]= 3.824020 meV Im[Sigma]= 43.989954 meV Z= 0.985965 lam= 0.014234
|
|
E( 3 )= 11.0543 eV Re[Sigma]= 89.991679 meV Im[Sigma]= 528.244669 meV Z= 1.231317 lam= -0.187862
|
|
E( 4 )= 11.0543 eV Re[Sigma]= 89.991679 meV Im[Sigma]= 528.244669 meV Z= 1.231317 lam= -0.187862
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.3800000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.9575 eV Re[Sigma]= -178.274829 meV Im[Sigma]= 34.538423 meV Z= 0.984648 lam= 0.015591
|
|
E( 2 )= 2.5459 eV Re[Sigma]= 1.809580 meV Im[Sigma]= 43.216244 meV Z= 0.986611 lam= 0.013571
|
|
E( 3 )= 11.0911 eV Re[Sigma]= 96.214832 meV Im[Sigma]= 527.983301 meV Z= 1.229618 lam= -0.186739
|
|
E( 4 )= 11.0911 eV Re[Sigma]= 96.214832 meV Im[Sigma]= 527.983301 meV Z= 1.229618 lam= -0.186739
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.3750000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.0516 eV Re[Sigma]= -174.905300 meV Im[Sigma]= 34.361438 meV Z= 0.985636 lam= 0.014573
|
|
E( 2 )= 2.7301 eV Re[Sigma]= 0.055462 meV Im[Sigma]= 42.277238 meV Z= 0.987246 lam= 0.012919
|
|
E( 3 )= 11.1291 eV Re[Sigma]= 102.520565 meV Im[Sigma]= 528.141697 meV Z= 1.227908 lam= -0.185607
|
|
E( 4 )= 11.1291 eV Re[Sigma]= 102.520565 meV Im[Sigma]= 528.141697 meV Z= 1.227908 lam= -0.185607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.3700000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.1455 eV Re[Sigma]= -171.729107 meV Im[Sigma]= 34.380098 meV Z= 0.986611 lam= 0.013570
|
|
E( 2 )= 2.9170 eV Re[Sigma]= -1.484183 meV Im[Sigma]= 40.918775 meV Z= 0.987552 lam= 0.012605
|
|
E( 3 )= 11.1682 eV Re[Sigma]= 108.927204 meV Im[Sigma]= 528.668846 meV Z= 1.226054 lam= -0.184375
|
|
E( 4 )= 11.1682 eV Re[Sigma]= 108.927204 meV Im[Sigma]= 528.668846 meV Z= 1.226054 lam= -0.184375
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.3650000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.2390 eV Re[Sigma]= -168.731229 meV Im[Sigma]= 34.545467 meV Z= 0.987565 lam= 0.012592
|
|
E( 2 )= 3.1065 eV Re[Sigma]= -2.949093 meV Im[Sigma]= 39.049795 meV Z= 0.987055 lam= 0.013114
|
|
E( 3 )= 11.2084 eV Re[Sigma]= 115.444157 meV Im[Sigma]= 529.478119 meV Z= 1.223957 lam= -0.182978
|
|
E( 4 )= 11.2084 eV Re[Sigma]= 115.444157 meV Im[Sigma]= 529.478119 meV Z= 1.223957 lam= -0.182978
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.3600000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.3322 eV Re[Sigma]= -165.897418 meV Im[Sigma]= 34.820674 meV Z= 0.988490 lam= 0.011644
|
|
E( 2 )= 3.2984 eV Re[Sigma]= -4.575575 meV Im[Sigma]= 36.841839 meV Z= 0.985543 lam= 0.014670
|
|
E( 3 )= 11.2497 eV Re[Sigma]= 122.072291 meV Im[Sigma]= 530.458069 meV Z= 1.221549 lam= -0.181367
|
|
E( 4 )= 11.2497 eV Re[Sigma]= 122.072291 meV Im[Sigma]= 530.458069 meV Z= 1.221549 lam= -0.181367
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.3550000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.4250 eV Re[Sigma]= -163.214463 meV Im[Sigma]= 35.177690 meV Z= 0.989385 lam= 0.010729
|
|
E( 2 )= 3.4925 eV Re[Sigma]= -6.569607 meV Im[Sigma]= 34.727131 meV Z= 0.983591 lam= 0.016683
|
|
E( 3 )= 11.2920 eV Re[Sigma]= 128.804125 meV Im[Sigma]= 531.485378 meV Z= 1.218789 lam= -0.179513
|
|
E( 4 )= 11.2920 eV Re[Sigma]= 128.804125 meV Im[Sigma]= 531.485378 meV Z= 1.218789 lam= -0.179513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.3500000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.5173 eV Re[Sigma]= -160.670326 meV Im[Sigma]= 35.595247 meV Z= 0.990247 lam= 0.009849
|
|
E( 2 )= 3.6889 eV Re[Sigma]= -8.929320 meV Im[Sigma]= 33.255527 meV Z= 0.982251 lam= 0.018070
|
|
E( 3 )= 11.3352 eV Re[Sigma]= 135.624089 meV Im[Sigma]= 532.438284 meV Z= 1.215662 lam= -0.177403
|
|
E( 4 )= 11.3352 eV Re[Sigma]= 135.624089 meV Im[Sigma]= 532.438284 meV Z= 1.215662 lam= -0.177403
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.3450000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.6092 eV Re[Sigma]= -158.254180 meV Im[Sigma]= 36.057355 meV Z= 0.991079 lam= 0.009002
|
|
E( 2 )= 3.8873 eV Re[Sigma]= -11.425180 meV Im[Sigma]= 32.861614 meV Z= 0.982190 lam= 0.018133
|
|
E( 3 )= 11.3793 eV Re[Sigma]= 142.510081 meV Im[Sigma]= 533.208101 meV Z= 1.212192 lam= -0.175048
|
|
E( 4 )= 11.3793 eV Re[Sigma]= 142.510081 meV Im[Sigma]= 533.208101 meV Z= 1.212192 lam= -0.175048
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.3400000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.7005 eV Re[Sigma]= -155.956407 meV Im[Sigma]= 36.552137 meV Z= 0.991881 lam= 0.008186
|
|
E( 2 )= 4.0875 eV Re[Sigma]= -13.738459 meV Im[Sigma]= 33.669606 meV Z= 0.983383 lam= 0.016898
|
|
E( 3 )= 11.4243 eV Re[Sigma]= 149.438323 meV Im[Sigma]= 533.706079 meV Z= 1.208463 lam= -0.172502
|
|
E( 4 )= 11.4243 eV Re[Sigma]= 149.438323 meV Im[Sigma]= 533.706079 meV Z= 1.208463 lam= -0.172502
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.3350000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.7914 eV Re[Sigma]= -153.768518 meV Im[Sigma]= 37.070803 meV Z= 0.992656 lam= 0.007399
|
|
E( 2 )= 4.2895 eV Re[Sigma]= -15.627675 meV Im[Sigma]= 35.453328 meV Z= 0.985197 lam= 0.015025
|
|
E( 3 )= 11.4701 eV Re[Sigma]= 156.391405 meV Im[Sigma]= 533.863596 meV Z= 1.204615 lam= -0.169859
|
|
E( 4 )= 11.4701 eV Re[Sigma]= 156.391405 meV Im[Sigma]= 533.863596 meV Z= 1.204615 lam= -0.169859
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.3300000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.8816 eV Re[Sigma]= -151.682515 meV Im[Sigma]= 37.606683 meV Z= 0.993407 lam= 0.006636
|
|
E( 2 )= 4.4931 eV Re[Sigma]= -17.038460 meV Im[Sigma]= 37.768258 meV Z= 0.986802 lam= 0.013375
|
|
E( 3 )= 11.5167 eV Re[Sigma]= 163.364052 meV Im[Sigma]= 533.625672 meV Z= 1.200795 lam= -0.167218
|
|
E( 4 )= 11.5167 eV Re[Sigma]= 163.364052 meV Im[Sigma]= 533.625672 meV Z= 1.200795 lam= -0.167218
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.3250000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.9711 eV Re[Sigma]= -149.681573 meV Im[Sigma]= 38.154181 meV Z= 0.994142 lam= 0.005892
|
|
E( 2 )= 4.6981 eV Re[Sigma]= -18.059783 meV Im[Sigma]= 40.162274 meV Z= 0.987798 lam= 0.012353
|
|
E( 3 )= 11.5640 eV Re[Sigma]= 170.363237 meV Im[Sigma]= 532.940513 meV Z= 1.197092 lam= -0.164642
|
|
E( 4 )= 11.5640 eV Re[Sigma]= 170.363237 meV Im[Sigma]= 532.940513 meV Z= 1.197092 lam= -0.164642
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.3200000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.0600 eV Re[Sigma]= -147.729570 meV Im[Sigma]= 38.707622 meV Z= 0.994875 lam= 0.005152
|
|
E( 2 )= 4.9045 eV Re[Sigma]= -18.783018 meV Im[Sigma]= 42.339143 meV Z= 0.988291 lam= 0.011848
|
|
E( 3 )= 11.6119 eV Re[Sigma]= 177.404727 meV Im[Sigma]= 531.749452 meV Z= 1.193537 lam= -0.162154
|
|
E( 4 )= 11.6119 eV Re[Sigma]= 177.404727 meV Im[Sigma]= 531.749452 meV Z= 1.193537 lam= -0.162154
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.3150000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.1482 eV Re[Sigma]= -145.884464 meV Im[Sigma]= 39.259883 meV Z= 0.995585 lam= 0.004434
|
|
E( 2 )= 5.1119 eV Re[Sigma]= -19.362295 meV Im[Sigma]= 44.206451 meV Z= 0.988551 lam= 0.011581
|
|
E( 3 )= 11.6604 eV Re[Sigma]= 184.475243 meV Im[Sigma]= 529.981269 meV Z= 1.190139 lam= -0.159762
|
|
E( 4 )= 11.6604 eV Re[Sigma]= 184.475243 meV Im[Sigma]= 529.981269 meV Z= 1.190139 lam= -0.159762
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.3100000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.2355 eV Re[Sigma]= -144.143121 meV Im[Sigma]= 39.800835 meV Z= 0.996276 lam= 0.003738
|
|
E( 2 )= 5.3204 eV Re[Sigma]= -19.825784 meV Im[Sigma]= 45.824750 meV Z= 0.988735 lam= 0.011393
|
|
E( 3 )= 11.7095 eV Re[Sigma]= 191.572166 meV Im[Sigma]= 527.552301 meV Z= 1.186884 lam= -0.157458
|
|
E( 4 )= 11.7095 eV Re[Sigma]= 191.572166 meV Im[Sigma]= 527.552301 meV Z= 1.186884 lam= -0.157458
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.3050000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.3221 eV Re[Sigma]= -142.486868 meV Im[Sigma]= 40.315656 meV Z= 0.996953 lam= 0.003056
|
|
E( 2 )= 5.5296 eV Re[Sigma]= -20.158375 meV Im[Sigma]= 47.320465 meV Z= 0.988908 lam= 0.011216
|
|
E( 3 )= 11.7590 eV Re[Sigma]= 198.693421 meV Im[Sigma]= 524.370919 meV Z= 1.183747 lam= -0.155225
|
|
E( 4 )= 11.7590 eV Re[Sigma]= 198.693421 meV Im[Sigma]= 524.370919 meV Z= 1.183747 lam= -0.155225
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.3000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.4077 eV Re[Sigma]= -140.907845 meV Im[Sigma]= 40.783253 meV Z= 0.997617 lam= 0.002388
|
|
E( 2 )= 5.7395 eV Re[Sigma]= -20.347742 meV Im[Sigma]= 48.816577 meV Z= 0.989096 lam= 0.011024
|
|
E( 3 )= 11.8090 eV Re[Sigma]= 205.829174 meV Im[Sigma]= 520.343684 meV Z= 1.180682 lam= -0.153032
|
|
E( 4 )= 11.8090 eV Re[Sigma]= 205.829174 meV Im[Sigma]= 520.343684 meV Z= 1.180682 lam= -0.153032
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.2950000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.4925 eV Re[Sigma]= -139.400491 meV Im[Sigma]= 41.175168 meV Z= 0.998265 lam= 0.001738
|
|
E( 2 )= 5.9499 eV Re[Sigma]= -20.380117 meV Im[Sigma]= 50.401061 meV Z= 0.989311 lam= 0.010804
|
|
E( 3 )= 11.8594 eV Re[Sigma]= 212.963000 meV Im[Sigma]= 515.381291 meV Z= 1.177617 lam= -0.150828
|
|
E( 4 )= 11.8594 eV Re[Sigma]= 212.963000 meV Im[Sigma]= 515.381291 meV Z= 1.177617 lam= -0.150828
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.2900000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.5762 eV Re[Sigma]= -137.959528 meV Im[Sigma]= 41.455487 meV Z= 0.998889 lam= 0.001112
|
|
E( 2 )= 6.1606 eV Re[Sigma]= -20.239925 meV Im[Sigma]= 52.125987 meV Z= 0.989562 lam= 0.010548
|
|
E( 3 )= 11.9102 eV Re[Sigma]= 220.070555 meV Im[Sigma]= 509.404168 meV Z= 1.174448 lam= -0.148536
|
|
E( 4 )= 11.9102 eV Re[Sigma]= 220.070555 meV Im[Sigma]= 509.404168 meV Z= 1.174448 lam= -0.148536
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.2850000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.6589 eV Re[Sigma]= -136.578192 meV Im[Sigma]= 41.582336 meV Z= 0.999474 lam= 0.000526
|
|
E( 2 )= 6.3714 eV Re[Sigma]= -19.908617 meV Im[Sigma]= 54.021212 meV Z= 0.989858 lam= 0.010246
|
|
E( 3 )= 11.9612 eV Re[Sigma]= 227.117547 meV Im[Sigma]= 502.348692 meV Z= 1.171033 lam= -0.146053
|
|
E( 4 )= 11.9612 eV Re[Sigma]= 227.117547 meV Im[Sigma]= 502.348692 meV Z= 1.171033 lam= -0.146053
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.2800000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.7406 eV Re[Sigma]= -135.247392 meV Im[Sigma]= 41.511372 meV Z= 0.999999 lam= 0.000001
|
|
E( 2 )= 6.5822 eV Re[Sigma]= -19.364108 meV Im[Sigma]= 56.109110 meV Z= 0.990211 lam= 0.009885
|
|
E( 3 )= 12.0124 eV Re[Sigma]= 234.056926 meV Im[Sigma]= 494.174910 meV Z= 1.167191 lam= -0.143242
|
|
E( 4 )= 12.0124 eV Re[Sigma]= 234.056926 meV Im[Sigma]= 494.174910 meV Z= 1.167191 lam= -0.143242
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.2750000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.8211 eV Re[Sigma]= -133.954709 meV Im[Sigma]= 41.201327 meV Z= 1.000432 lam= -0.000431
|
|
E( 2 )= 6.7928 eV Re[Sigma]= -18.580395 meV Im[Sigma]= 58.409299 meV Z= 0.990636 lam= 0.009452
|
|
E( 3 )= 12.0639 eV Re[Sigma]= 240.826197 meV Im[Sigma]= 484.875638 meV Z= 1.162715 lam= -0.139944
|
|
E( 4 )= 12.0639 eV Re[Sigma]= 240.826197 meV Im[Sigma]= 484.875638 meV Z= 1.162715 lam= -0.139944
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.2700000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.9005 eV Re[Sigma]= -132.682267 meV Im[Sigma]= 40.621096 meV Z= 1.000727 lam= -0.000727
|
|
E( 2 )= 7.0031 eV Re[Sigma]= -17.529379 meV Im[Sigma]= 60.915504 meV Z= 0.991139 lam= 0.008940
|
|
E( 3 )= 12.1154 eV Re[Sigma]= 247.345627 meV Im[Sigma]= 474.485848 meV Z= 1.157387 lam= -0.135985
|
|
E( 4 )= 12.1154 eV Re[Sigma]= 247.345627 meV Im[Sigma]= 474.485848 meV Z= 1.157387 lam= -0.135985
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.2650000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.9786 eV Re[Sigma]= -131.404960 meV Im[Sigma]= 39.757189 meV Z= 1.000833 lam= -0.000832
|
|
E( 2 )= 7.2127 eV Re[Sigma]= -16.190067 meV Im[Sigma]= 63.512700 meV Z= 0.991691 lam= 0.008379
|
|
E( 3 )= 12.1670 eV Re[Sigma]= 253.518457 meV Im[Sigma]= 463.090619 meV Z= 1.151015 lam= -0.131201
|
|
E( 4 )= 12.1670 eV Re[Sigma]= 253.518457 meV Im[Sigma]= 463.090619 meV Z= 1.151015 lam= -0.131201
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.2600000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.0555 eV Re[Sigma]= -130.092476 meV Im[Sigma]= 38.619897 meV Z= 1.000696 lam= -0.000696
|
|
E( 2 )= 7.4217 eV Re[Sigma]= -14.577771 meV Im[Sigma]= 65.844103 meV Z= 0.992179 lam= 0.007883
|
|
E( 3 )= 12.2187 eV Re[Sigma]= 259.233426 meV Im[Sigma]= 450.829865 meV Z= 1.143487 lam= -0.125482
|
|
E( 4 )= 12.2187 eV Re[Sigma]= 259.233426 meV Im[Sigma]= 450.829865 meV Z= 1.143487 lam= -0.125482
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.2550000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.1311 eV Re[Sigma]= -128.705659 meV Im[Sigma]= 37.246404 meV Z= 1.000287 lam= -0.000287
|
|
E( 2 )= 7.6298 eV Re[Sigma]= -12.797504 meV Im[Sigma]= 67.321802 meV Z= 0.992370 lam= 0.007688
|
|
E( 3 )= 12.2703 eV Re[Sigma]= 264.374262 meV Im[Sigma]= 437.898388 meV Z= 1.134831 lam= -0.118812
|
|
E( 4 )= 12.2703 eV Re[Sigma]= 264.374262 meV Im[Sigma]= 437.898388 meV Z= 1.134831 lam= -0.118812
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.2500000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.2054 eV Re[Sigma]= -127.208250 meV Im[Sigma]= 35.699542 meV Z= 0.999624 lam= 0.000376
|
|
E( 2 )= 7.8368 eV Re[Sigma]= -11.107855 meV Im[Sigma]= 67.543425 meV Z= 0.992041 lam= 0.008023
|
|
E( 3 )= 12.3218 eV Re[Sigma]= 268.830859 meV Im[Sigma]= 424.540437 meV Z= 1.125264 lam= -0.111320
|
|
E( 4 )= 12.3218 eV Re[Sigma]= 268.830859 meV Im[Sigma]= 424.540437 meV Z= 1.125264 lam= -0.111320
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.2450000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.2783 eV Re[Sigma]= -125.571238 meV Im[Sigma]= 34.061828 meV Z= 0.998795 lam= 0.001206
|
|
E( 2 )= 8.0426 eV Re[Sigma]= -9.829656 meV Im[Sigma]= 66.811069 meV Z= 0.991447 lam= 0.008626
|
|
E( 3 )= 12.3732 eV Re[Sigma]= 272.516835 meV Im[Sigma]= 411.038775 meV Z= 1.115194 lam= -0.103295
|
|
E( 4 )= 12.3732 eV Re[Sigma]= 272.516835 meV Im[Sigma]= 411.038775 meV Z= 1.115194 lam= -0.103295
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.2400000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.3498 eV Re[Sigma]= -123.781707 meV Im[Sigma]= 32.425641 meV Z= 0.997941 lam= 0.002063
|
|
E( 2 )= 8.2470 eV Re[Sigma]= -8.977803 meV Im[Sigma]= 65.941466 meV Z= 0.991075 lam= 0.009006
|
|
E( 3 )= 12.4244 eV Re[Sigma]= 275.385589 meV Im[Sigma]= 397.699110 meV Z= 1.105169 lam= -0.095161
|
|
E( 4 )= 12.4244 eV Re[Sigma]= 275.385589 meV Im[Sigma]= 397.699110 meV Z= 1.105169 lam= -0.095161
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.2350000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.4198 eV Re[Sigma]= -121.852315 meV Im[Sigma]= 30.881472 meV Z= 0.997208 lam= 0.002800
|
|
E( 2 )= 8.4498 eV Re[Sigma]= -8.400555 meV Im[Sigma]= 65.482054 meV Z= 0.990181 lam= 0.009917
|
|
E( 3 )= 12.4753 eV Re[Sigma]= 277.438885 meV Im[Sigma]= 384.831531 meV Z= 1.095766 lam= -0.087397
|
|
E( 4 )= 12.4753 eV Re[Sigma]= 277.438885 meV Im[Sigma]= 384.831531 meV Z= 1.095766 lam= -0.087397
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.2300000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.4884 eV Re[Sigma]= -119.811612 meV Im[Sigma]= 29.506700 meV Z= 0.996691 lam= 0.003320
|
|
E( 2 )= 8.6509 eV Re[Sigma]= -8.165255 meV Im[Sigma]= 65.455297 meV Z= 0.988502 lam= 0.011632
|
|
E( 3 )= 12.5260 eV Re[Sigma]= 278.728876 meV Im[Sigma]= 372.731076 meV Z= 1.087477 lam= -0.080441
|
|
E( 4 )= 12.5260 eV Re[Sigma]= 278.728876 meV Im[Sigma]= 372.731076 meV Z= 1.087477 lam= -0.080441
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.2250000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.5554 eV Re[Sigma]= -117.695708 meV Im[Sigma]= 28.357210 meV Z= 0.996419 lam= 0.003594
|
|
E( 2 )= 8.8501 eV Re[Sigma]= -8.335790 meV Im[Sigma]= 65.842341 meV Z= 0.986821 lam= 0.013355
|
|
E( 3 )= 12.5763 eV Re[Sigma]= 279.348488 meV Im[Sigma]= 361.659716 meV Z= 1.080625 lam= -0.074609
|
|
E( 4 )= 12.5763 eV Re[Sigma]= 279.348488 meV Im[Sigma]= 361.659716 meV Z= 1.080625 lam= -0.074609
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.2200000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.6209 eV Re[Sigma]= -115.543444 meV Im[Sigma]= 27.463289 meV Z= 0.996366 lam= 0.003648
|
|
E( 2 )= 9.0473 eV Re[Sigma]= -8.812949 meV Im[Sigma]= 66.943279 meV Z= 0.985762 lam= 0.014443
|
|
E( 3 )= 12.6263 eV Re[Sigma]= 279.414473 meV Im[Sigma]= 351.831798 meV Z= 1.075339 lam= -0.070060
|
|
E( 4 )= 12.6263 eV Re[Sigma]= 279.414473 meV Im[Sigma]= 351.831798 meV Z= 1.075339 lam= -0.070060
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.2150000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.6849 eV Re[Sigma]= -113.385035 meV Im[Sigma]= 26.830107 meV Z= 0.996483 lam= 0.003530
|
|
E( 2 )= 9.2422 eV Re[Sigma]= -9.423441 meV Im[Sigma]= 69.255526 meV Z= 0.985422 lam= 0.014794
|
|
E( 3 )= 12.6758 eV Re[Sigma]= 279.052346 meV Im[Sigma]= 343.404413 meV Z= 1.071588 lam= -0.066806
|
|
E( 4 )= 12.6758 eV Re[Sigma]= 279.052346 meV Im[Sigma]= 343.404413 meV Z= 1.071588 lam= -0.066806
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.2100000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.7473 eV Re[Sigma]= -111.241392 meV Im[Sigma]= 26.441951 meV Z= 0.996720 lam= 0.003291
|
|
E( 2 )= 9.4348 eV Re[Sigma]= -10.014030 meV Im[Sigma]= 73.228028 meV Z= 0.985706 lam= 0.014502
|
|
E( 3 )= 12.7249 eV Re[Sigma]= 278.382705 meV Im[Sigma]= 336.473391 meV Z= 1.069235 lam= -0.064752
|
|
E( 4 )= 12.7249 eV Re[Sigma]= 278.382705 meV Im[Sigma]= 336.473391 meV Z= 1.069235 lam= -0.064752
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.2050000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.8081 eV Re[Sigma]= -109.129742 meV Im[Sigma]= 26.268701 meV Z= 0.997034 lam= 0.002974
|
|
E( 2 )= 9.6249 eV Re[Sigma]= -10.462518 meV Im[Sigma]= 79.159246 meV Z= 0.986608 lam= 0.013574
|
|
E( 3 )= 12.7734 eV Re[Sigma]= 277.511295 meV Im[Sigma]= 331.074830 meV Z= 1.068087 lam= -0.063747
|
|
E( 4 )= 12.7734 eV Re[Sigma]= 277.511295 meV Im[Sigma]= 331.074830 meV Z= 1.068087 lam= -0.063747
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.2000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.8672 eV Re[Sigma]= -107.059806 meV Im[Sigma]= 26.272829 meV Z= 0.997395 lam= 0.002611
|
|
E( 2 )= 9.8124 eV Re[Sigma]= -10.645302 meV Im[Sigma]= 87.198682 meV Z= 0.988286 lam= 0.011853
|
|
E( 3 )= 12.8214 eV Re[Sigma]= 276.526679 meV Im[Sigma]= 327.191340 meV Z= 1.067944 lam= -0.063621
|
|
E( 4 )= 12.8214 eV Re[Sigma]= 276.526679 meV Im[Sigma]= 327.191340 meV Z= 1.067944 lam= -0.063621
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1950000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.9248 eV Re[Sigma]= -105.035499 meV Im[Sigma]= 26.415555 meV Z= 0.997782 lam= 0.002223
|
|
E( 2 )= 9.9970 eV Re[Sigma]= -10.404706 meV Im[Sigma]= 97.345142 meV Z= 0.991051 lam= 0.009030
|
|
E( 3 )= 12.8687 eV Re[Sigma]= 275.499904 meV Im[Sigma]= 324.761763 meV Z= 1.068618 lam= -0.064212
|
|
E( 4 )= 12.8687 eV Re[Sigma]= 275.499904 meV Im[Sigma]= 324.761763 meV Z= 1.068618 lam= -0.064212
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1900000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.9806 eV Re[Sigma]= -103.061714 meV Im[Sigma]= 26.661312 meV Z= 0.998179 lam= 0.001824
|
|
E( 2 )= 10.1787 eV Re[Sigma]= -9.531495 meV Im[Sigma]= 109.414086 meV Z= 0.995283 lam= 0.004739
|
|
E( 3 )= 12.9154 eV Re[Sigma]= 274.484533 meV Im[Sigma]= 323.692874 meV Z= 1.069949 lam= -0.065376
|
|
E( 4 )= 12.9154 eV Re[Sigma]= 274.484533 meV Im[Sigma]= 323.692874 meV Z= 1.069949 lam= -0.065376
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1850000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.0349 eV Re[Sigma]= -101.140191 meV Im[Sigma]= 26.980323 meV Z= 0.998579 lam= 0.001423
|
|
E( 2 )= 10.3573 eV Re[Sigma]= -7.773314 meV Im[Sigma]= 123.011798 meV Z= 1.001232 lam= -0.001231
|
|
E( 3 )= 12.9614 eV Re[Sigma]= 273.520494 meV Im[Sigma]= 323.871646 meV Z= 1.071807 lam= -0.066996
|
|
E( 4 )= 12.9614 eV Re[Sigma]= 273.520494 meV Im[Sigma]= 323.871646 meV Z= 1.071807 lam= -0.066996
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1800000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.0875 eV Re[Sigma]= -99.269266 meV Im[Sigma]= 27.349508 meV Z= 0.998976 lam= 0.001025
|
|
E( 2 )= 10.5327 eV Re[Sigma]= -4.893734 meV Im[Sigma]= 137.561929 meV Z= 1.008693 lam= -0.008618
|
|
E( 3 )= 13.0067 eV Re[Sigma]= 272.637037 meV Im[Sigma]= 325.176840 meV Z= 1.074091 lam= -0.068980
|
|
E( 4 )= 13.0067 eV Re[Sigma]= 272.637037 meV Im[Sigma]= 325.176840 meV Z= 1.074091 lam= -0.068980
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1750000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.1384 eV Re[Sigma]= -97.450335 meV Im[Sigma]= 27.752203 meV Z= 0.999367 lam= 0.000634
|
|
E( 2 )= 10.7047 eV Re[Sigma]= -0.777503 meV Im[Sigma]= 152.399844 meV Z= 1.016795 lam= -0.016518
|
|
E( 3 )= 13.0512 eV Re[Sigma]= 271.853398 meV Im[Sigma]= 327.488997 meV Z= 1.076724 lam= -0.071257
|
|
E( 4 )= 13.0512 eV Re[Sigma]= 271.853398 meV Im[Sigma]= 327.488997 meV Z= 1.076724 lam= -0.071257
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1700000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.1876 eV Re[Sigma]= -95.683280 meV Im[Sigma]= 28.177214 meV Z= 0.999750 lam= 0.000250
|
|
E( 2 )= 10.8733 eV Re[Sigma]= 4.486866 meV Im[Sigma]= 166.912359 meV Z= 1.024292 lam= -0.023715
|
|
E( 3 )= 13.0949 eV Re[Sigma]= 271.182132 meV Im[Sigma]= 330.698191 meV Z= 1.079648 lam= -0.073772
|
|
E( 4 )= 13.0949 eV Re[Sigma]= 271.182132 meV Im[Sigma]= 330.698191 meV Z= 1.079648 lam= -0.073772
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1650000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.2352 eV Re[Sigma]= -93.965118 meV Im[Sigma]= 28.617623 meV Z= 1.000126 lam= -0.000126
|
|
E( 2 )= 11.0383 eV Re[Sigma]= 10.622103 meV Im[Sigma]= 180.675597 meV Z= 1.030240 lam= -0.029353
|
|
E( 3 )= 13.1377 eV Re[Sigma]= 270.631246 meV Im[Sigma]= 334.709214 meV Z= 1.082825 lam= -0.076489
|
|
E( 4 )= 13.1377 eV Re[Sigma]= 270.631246 meV Im[Sigma]= 334.709214 meV Z= 1.082825 lam= -0.076489
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1600000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.2811 eV Re[Sigma]= -92.296678 meV Im[Sigma]= 29.069635 meV Z= 1.000495 lam= -0.000495
|
|
E( 2 )= 11.1995 eV Re[Sigma]= 17.267926 meV Im[Sigma]= 193.541120 meV Z= 1.034439 lam= -0.033292
|
|
E( 3 )= 13.1796 eV Re[Sigma]= 270.203548 meV Im[Sigma]= 339.444088 meV Z= 1.086226 lam= -0.079381
|
|
E( 4 )= 13.1796 eV Re[Sigma]= 270.203548 meV Im[Sigma]= 339.444088 meV Z= 1.086226 lam= -0.079381
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1550000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.3253 eV Re[Sigma]= -90.677431 meV Im[Sigma]= 29.531624 meV Z= 1.000857 lam= -0.000856
|
|
E( 2 )= 11.3569 eV Re[Sigma]= 24.099626 meV Im[Sigma]= 205.639973 meV Z= 1.037314 lam= -0.035972
|
|
E( 3 )= 13.2207 eV Re[Sigma]= 269.899009 meV Im[Sigma]= 344.842071 meV Z= 1.089836 lam= -0.082431
|
|
E( 4 )= 13.2207 eV Re[Sigma]= 269.899009 meV Im[Sigma]= 344.842071 meV Z= 1.089836 lam= -0.082431
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1500000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.3679 eV Re[Sigma]= -89.104250 meV Im[Sigma]= 30.003395 meV Z= 1.001215 lam= -0.001213
|
|
E( 2 )= 11.5104 eV Re[Sigma]= 30.901886 meV Im[Sigma]= 217.306568 meV Z= 1.039629 lam= -0.038118
|
|
E( 3 )= 13.2607 eV Re[Sigma]= 269.715891 meV Im[Sigma]= 350.857556 meV Z= 1.093648 lam= -0.085629
|
|
E( 4 )= 13.2607 eV Re[Sigma]= 269.715891 meV Im[Sigma]= 350.857556 meV Z= 1.093648 lam= -0.085629
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1450000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.4089 eV Re[Sigma]= -87.578312 meV Im[Sigma]= 30.485672 meV Z= 1.001569 lam= -0.001566
|
|
E( 2 )= 11.6598 eV Re[Sigma]= 37.594376 meV Im[Sigma]= 228.954232 meV Z= 1.042209 lam= -0.040499
|
|
E( 3 )= 13.2998 eV Re[Sigma]= 269.649226 meV Im[Sigma]= 357.456498 meV Z= 1.097660 lam= -0.088971
|
|
E( 4 )= 13.2998 eV Re[Sigma]= 269.649226 meV Im[Sigma]= 357.456498 meV Z= 1.097660 lam= -0.088971
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.1400000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.4482 eV Re[Sigma]= -86.098633 meV Im[Sigma]= 30.979747 meV Z= 1.001920 lam= -0.001916
|
|
E( 2 )= 11.8051 eV Re[Sigma]= 44.213941 meV Im[Sigma]= 240.948039 meV Z= 1.045667 lam= -0.043672
|
|
E( 3 )= 13.3378 eV Re[Sigma]= 269.692934 meV Im[Sigma]= 364.612197 meV Z= 1.101880 lam= -0.092460
|
|
E( 4 )= 13.3378 eV Re[Sigma]= 269.692934 meV Im[Sigma]= 364.612197 meV Z= 1.101880 lam= -0.092460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.1350000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.4859 eV Re[Sigma]= -84.662414 meV Im[Sigma]= 31.487256 meV Z= 1.002271 lam= -0.002266
|
|
E( 2 )= 11.9461 eV Re[Sigma]= 50.857945 meV Im[Sigma]= 253.513787 meV Z= 1.050275 lam= -0.047869
|
|
E( 3 )= 13.3748 eV Re[Sigma]= 269.840021 meV Im[Sigma]= 372.301266 meV Z= 1.106318 lam= -0.096100
|
|
E( 4 )= 13.3748 eV Re[Sigma]= 269.840021 meV Im[Sigma]= 372.301266 meV Z= 1.106318 lam= -0.096100
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.1300000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5220 eV Re[Sigma]= -83.271434 meV Im[Sigma]= 32.010028 meV Z= 1.002623 lam= -0.002617
|
|
E( 2 )= 12.0827 eV Re[Sigma]= 57.626506 meV Im[Sigma]= 266.701444 meV Z= 1.056048 lam= -0.053073
|
|
E( 3 )= 13.4107 eV Re[Sigma]= 270.080799 meV Im[Sigma]= 380.500576 meV Z= 1.110990 lam= -0.099902
|
|
E( 4 )= 13.4107 eV Re[Sigma]= 270.080799 meV Im[Sigma]= 380.500576 meV Z= 1.110990 lam= -0.099902
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.1250000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5565 eV Re[Sigma]= -81.923775 meV Im[Sigma]= 32.549987 meV Z= 1.002978 lam= -0.002970
|
|
E( 2 )= 12.2150 eV Re[Sigma]= 64.595344 meV Im[Sigma]= 280.399343 meV Z= 1.062882 lam= -0.059162
|
|
E( 3 )= 13.4455 eV Re[Sigma]= 270.405295 meV Im[Sigma]= 389.185622 meV Z= 1.115918 lam= -0.103877
|
|
E( 4 )= 13.4455 eV Re[Sigma]= 270.405295 meV Im[Sigma]= 389.185622 meV Z= 1.115918 lam= -0.103877
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.1200000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5894 eV Re[Sigma]= -80.617651 meV Im[Sigma]= 33.109085 meV Z= 1.003338 lam= -0.003327
|
|
E( 2 )= 12.3427 eV Re[Sigma]= 71.807672 meV Im[Sigma]= 294.381357 meV Z= 1.070647 lam= -0.065985
|
|
E( 3 )= 13.4792 eV Re[Sigma]= 270.802245 meV Im[Sigma]= 398.330460 meV Z= 1.121125 lam= -0.108039
|
|
E( 4 )= 13.4792 eV Re[Sigma]= 270.802245 meV Im[Sigma]= 398.330460 meV Z= 1.121125 lam= -0.108039
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.1150000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6208 eV Re[Sigma]= -79.354981 meV Im[Sigma]= 33.689250 meV Z= 1.003704 lam= -0.003690
|
|
E( 2 )= 12.4658 eV Re[Sigma]= 79.275875 meV Im[Sigma]= 308.366111 meV Z= 1.079207 lam= -0.073394
|
|
E( 3 )= 13.5116 eV Re[Sigma]= 271.257981 meV Im[Sigma]= 407.908929 meV Z= 1.126641 lam= -0.112406
|
|
E( 4 )= 13.5116 eV Re[Sigma]= 271.257981 meV Im[Sigma]= 407.908929 meV Z= 1.126641 lam= -0.112406
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.1100000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6507 eV Re[Sigma]= -78.132673 meV Im[Sigma]= 34.292344 meV Z= 1.004077 lam= -0.004061
|
|
E( 2 )= 12.5842 eV Re[Sigma]= 86.988785 meV Im[Sigma]= 322.071777 meV Z= 1.088422 lam= -0.081238
|
|
E( 3 )= 13.5429 eV Re[Sigma]= 271.758968 meV Im[Sigma]= 417.896656 meV Z= 1.132496 lam= -0.116995
|
|
E( 4 )= 13.5429 eV Re[Sigma]= 271.758968 meV Im[Sigma]= 417.896656 meV Z= 1.132496 lam= -0.116995
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.1050000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6790 eV Re[Sigma]= -76.950982 meV Im[Sigma]= 34.920131 meV Z= 1.004460 lam= -0.004441
|
|
E( 2 )= 12.6978 eV Re[Sigma]= 94.913242 meV Im[Sigma]= 335.257368 meV Z= 1.098131 lam= -0.089362
|
|
E( 3 )= 13.5730 eV Re[Sigma]= 272.289471 meV Im[Sigma]= 428.273156 meV Z= 1.138722 lam= -0.121823
|
|
E( 4 )= 13.5730 eV Re[Sigma]= 272.289471 meV Im[Sigma]= 428.273156 meV Z= 1.138722 lam= -0.121823
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.1000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7058 eV Re[Sigma]= -75.810430 meV Im[Sigma]= 35.574254 meV Z= 1.004854 lam= -0.004830
|
|
E( 2 )= 12.8066 eV Re[Sigma]= 102.998132 meV Im[Sigma]= 347.747974 meV Z= 1.108156 lam= -0.097600
|
|
E( 3 )= 13.6018 eV Re[Sigma]= 272.832396 meV Im[Sigma]= 439.023465 meV Z= 1.145352 lam= -0.126906
|
|
E( 4 )= 13.6018 eV Re[Sigma]= 272.832396 meV Im[Sigma]= 439.023465 meV Z= 1.145352 lam= -0.126906
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.0950000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7311 eV Re[Sigma]= -74.707842 meV Im[Sigma]= 36.256206 meV Z= 1.005260 lam= -0.005232
|
|
E( 2 )= 12.9105 eV Re[Sigma]= 111.178614 meV Im[Sigma]= 359.445406 meV Z= 1.118300 lam= -0.105786
|
|
E( 3 )= 13.6293 eV Re[Sigma]= 273.370609 meV Im[Sigma]= 450.138876 meV Z= 1.152418 lam= -0.132259
|
|
E( 4 )= 13.6293 eV Re[Sigma]= 273.370609 meV Im[Sigma]= 450.138876 meV Z= 1.152418 lam= -0.132259
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.0900000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7550 eV Re[Sigma]= -73.645485 meV Im[Sigma]= 36.967323 meV Z= 1.005679 lam= -0.005646
|
|
E( 2 )= 13.0095 eV Re[Sigma]= 119.376732 meV Im[Sigma]= 370.327609 meV Z= 1.128359 lam= -0.113757
|
|
E( 3 )= 13.6556 eV Re[Sigma]= 273.884387 meV Im[Sigma]= 461.616651 meV Z= 1.159948 lam= -0.137893
|
|
E( 4 )= 13.6556 eV Re[Sigma]= 273.884387 meV Im[Sigma]= 461.616651 meV Z= 1.159948 lam= -0.137893
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.0850000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7774 eV Re[Sigma]= -72.620967 meV Im[Sigma]= 37.708764 meV Z= 1.006112 lam= -0.006075
|
|
E( 2 )= 13.1034 eV Re[Sigma]= 127.508112 meV Im[Sigma]= 380.440505 meV Z= 1.138139 lam= -0.121372
|
|
E( 3 )= 13.6805 eV Re[Sigma]= 274.354411 meV Im[Sigma]= 473.458796 meV Z= 1.167971 lam= -0.143815
|
|
E( 4 )= 13.6805 eV Re[Sigma]= 274.354411 meV Im[Sigma]= 473.458796 meV Z= 1.167971 lam= -0.143815
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.0800000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7985 eV Re[Sigma]= -71.633820 meV Im[Sigma]= 38.481516 meV Z= 1.006561 lam= -0.006519
|
|
E( 2 )= 13.1922 eV Re[Sigma]= 135.484344 meV Im[Sigma]= 389.885507 meV Z= 1.147479 lam= -0.128524
|
|
E( 3 )= 13.7042 eV Re[Sigma]= 274.760105 meV Im[Sigma]= 485.670192 meV Z= 1.176511 lam= -0.150029
|
|
E( 4 )= 13.7042 eV Re[Sigma]= 274.760105 meV Im[Sigma]= 485.670192 meV Z= 1.176511 lam= -0.150029
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.0750000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8181 eV Re[Sigma]= -70.685081 meV Im[Sigma]= 39.286387 meV Z= 1.007027 lam= -0.006978
|
|
E( 2 )= 13.2759 eV Re[Sigma]= 143.217280 meV Im[Sigma]= 398.805314 meV Z= 1.156270 lam= -0.135150
|
|
E( 3 )= 13.7265 eV Re[Sigma]= 275.079777 meV Im[Sigma]= 498.256443 meV Z= 1.185590 lam= -0.156538
|
|
E( 4 )= 13.7265 eV Re[Sigma]= 275.079777 meV Im[Sigma]= 498.256443 meV Z= 1.185590 lam= -0.156538
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.0700000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8363 eV Re[Sigma]= -69.771478 meV Im[Sigma]= 40.124014 meV Z= 1.007510 lam= -0.007454
|
|
E( 2 )= 13.3545 eV Re[Sigma]= 150.624625 meV Im[Sigma]= 407.369817 meV Z= 1.164469 lam= -0.141239
|
|
E( 3 )= 13.7474 eV Re[Sigma]= 275.292519 meV Im[Sigma]= 511.221807 meV Z= 1.195230 lam= -0.163341
|
|
E( 4 )= 13.7474 eV Re[Sigma]= 275.292519 meV Im[Sigma]= 511.221807 meV Z= 1.195230 lam= -0.163341
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.0650000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8532 eV Re[Sigma]= -68.895780 meV Im[Sigma]= 40.994874 meV Z= 1.008012 lam= -0.007948
|
|
E( 2 )= 13.4278 eV Re[Sigma]= 157.629897 meV Im[Sigma]= 415.763371 meV Z= 1.172108 lam= -0.146836
|
|
E( 3 )= 13.7669 eV Re[Sigma]= 275.375366 meV Im[Sigma]= 524.567474 meV Z= 1.205451 lam= -0.170435
|
|
E( 4 )= 13.7669 eV Re[Sigma]= 275.375366 meV Im[Sigma]= 524.567474 meV Z= 1.205451 lam= -0.170435
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.0600000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8688 eV Re[Sigma]= -68.055713 meV Im[Sigma]= 41.899301 meV Z= 1.008532 lam= -0.008459
|
|
E( 2 )= 13.4958 eV Re[Sigma]= 164.167265 meV Im[Sigma]= 424.174083 meV Z= 1.179290 lam= -0.152032
|
|
E( 3 )= 13.7851 eV Re[Sigma]= 275.306658 meV Im[Sigma]= 538.290380 meV Z= 1.216274 lam= -0.177817
|
|
E( 4 )= 13.7851 eV Re[Sigma]= 275.306658 meV Im[Sigma]= 538.290380 meV Z= 1.216274 lam= -0.177817
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.0550000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8830 eV Re[Sigma]= -67.250899 meV Im[Sigma]= 42.837501 meV Z= 1.009071 lam= -0.008990
|
|
E( 2 )= 13.5586 eV Re[Sigma]= 170.180148 meV Im[Sigma]= 432.785364 meV Z= 1.186177 lam= -0.156955
|
|
E( 3 )= 13.8019 eV Re[Sigma]= 275.064414 meV Im[Sigma]= 552.382590 meV Z= 1.227721 lam= -0.185483
|
|
E( 4 )= 13.8019 eV Re[Sigma]= 275.064414 meV Im[Sigma]= 552.382590 meV Z= 1.227721 lam= -0.185483
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.0500000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8960 eV Re[Sigma]= -66.480485 meV Im[Sigma]= 43.809574 meV Z= 1.009631 lam= -0.009539
|
|
E( 2 )= 13.6160 eV Re[Sigma]= 175.620713 meV Im[Sigma]= 441.769665 meV Z= 1.192977 lam= -0.161761
|
|
E( 3 )= 13.8172 eV Re[Sigma]= 274.627229 meV Im[Sigma]= 566.831212 meV Z= 1.239814 lam= -0.193427
|
|
E( 4 )= 13.8172 eV Re[Sigma]= 274.627229 meV Im[Sigma]= 566.831212 meV Z= 1.239814 lam= -0.193427
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.0450000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9076 eV Re[Sigma]= -65.743377 meV Im[Sigma]= 44.815544 meV Z= 1.010211 lam= -0.010108
|
|
E( 2 )= 13.6680 eV Re[Sigma]= 180.447999 meV Im[Sigma]= 451.284081 meV Z= 1.199924 lam= -0.166614
|
|
E( 3 )= 13.8311 eV Re[Sigma]= 273.974607 meV Im[Sigma]= 581.618738 meV Z= 1.252573 lam= -0.201644
|
|
E( 4 )= 13.8311 eV Re[Sigma]= 273.974607 meV Im[Sigma]= 581.618738 meV Z= 1.252573 lam= -0.201644
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.0400000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9180 eV Re[Sigma]= -65.039847 meV Im[Sigma]= 45.855375 meV Z= 1.010812 lam= -0.010697
|
|
E( 2 )= 13.7146 eV Re[Sigma]= 184.624892 meV Im[Sigma]= 461.467421 meV Z= 1.207266 lam= -0.171682
|
|
E( 3 )= 13.8436 eV Re[Sigma]= 273.086772 meV Im[Sigma]= 596.723661 meV Z= 1.266019 lam= -0.210122
|
|
E( 4 )= 13.8436 eV Re[Sigma]= 273.086772 meV Im[Sigma]= 596.723661 meV Z= 1.266019 lam= -0.210122
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.0350000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9272 eV Re[Sigma]= -64.367586 meV Im[Sigma]= 46.929007 meV Z= 1.011436 lam= -0.011306
|
|
E( 2 )= 13.7558 eV Re[Sigma]= 188.116225 meV Im[Sigma]= 472.438269 meV Z= 1.215249 lam= -0.177123
|
|
E( 3 )= 13.8546 eV Re[Sigma]= 271.946015 meV Im[Sigma]= 612.121238 meV Z= 1.280168 lam= -0.218852
|
|
E( 4 )= 13.8546 eV Re[Sigma]= 271.946015 meV Im[Sigma]= 612.121238 meV Z= 1.280168 lam= -0.218852
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.0300000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9350 eV Re[Sigma]= -63.724117 meV Im[Sigma]= 48.036371 meV Z= 1.012082 lam= -0.011937
|
|
E( 2 )= 13.7916 eV Re[Sigma]= 190.885367 meV Im[Sigma]= 484.293563 meV Z= 1.224108 lam= -0.183079
|
|
E( 3 )= 13.8642 eV Re[Sigma]= 270.535655 meV Im[Sigma]= 627.784263 meV Z= 1.295035 lam= -0.227820
|
|
E( 4 )= 13.8642 eV Re[Sigma]= 270.535655 meV Im[Sigma]= 627.784263 meV Z= 1.295035 lam= -0.227820
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.0250000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9417 eV Re[Sigma]= -63.109693 meV Im[Sigma]= 49.177422 meV Z= 1.012750 lam= -0.012590
|
|
E( 2 )= 13.8218 eV Re[Sigma]= 192.890296 meV Im[Sigma]= 497.107274 meV Z= 1.234063 lam= -0.189669
|
|
E( 3 )= 13.8723 eV Re[Sigma]= 268.840984 meV Im[Sigma]= 643.683768 meV Z= 1.310633 lam= -0.237010
|
|
E( 4 )= 13.8723 eV Re[Sigma]= 268.840984 meV Im[Sigma]= 643.683768 meV Z= 1.310633 lam= -0.237010
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.0200000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9471 eV Re[Sigma]= -62.525650 meV Im[Sigma]= 50.352150 meV Z= 1.013442 lam= -0.013264
|
|
E( 2 )= 13.8466 eV Re[Sigma]= 194.082170 meV Im[Sigma]= 510.928817 meV Z= 1.245311 lam= -0.196988
|
|
E( 3 )= 13.8789 eV Re[Sigma]= 266.848268 meV Im[Sigma]= 659.789573 meV Z= 1.326974 lam= -0.246406
|
|
E( 4 )= 13.8789 eV Re[Sigma]= 266.848268 meV Im[Sigma]= 659.789573 meV Z= 1.326974 lam= -0.246406
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.0150000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9513 eV Re[Sigma]= -61.969479 meV Im[Sigma]= 51.560605 meV Z= 1.014158 lam= -0.013960
|
|
E( 2 )= 13.8659 eV Re[Sigma]= 194.404622 meV Im[Sigma]= 525.780869 meV Z= 1.258021 lam= -0.205100
|
|
E( 3 )= 13.8841 eV Re[Sigma]= 264.546313 meV Im[Sigma]= 676.070654 meV Z= 1.344063 lam= -0.255987
|
|
E( 4 )= 13.8841 eV Re[Sigma]= 264.546313 meV Im[Sigma]= 676.070654 meV Z= 1.344063 lam= -0.255987
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.0100000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9543 eV Re[Sigma]= -61.441553 meV Im[Sigma]= 52.802901 meV Z= 1.014897 lam= -0.014679
|
|
E( 2 )= 13.8797 eV Re[Sigma]= 193.790763 meV Im[Sigma]= 541.656378 meV Z= 1.272324 lam= -0.214037
|
|
E( 3 )= 13.8878 eV Re[Sigma]= 261.924652 meV Im[Sigma]= 692.495317 meV Z= 1.361905 lam= -0.265735
|
|
E( 4 )= 13.8878 eV Re[Sigma]= 261.924652 meV Im[Sigma]= 692.495317 meV Z= 1.361905 lam= -0.265735
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.0050000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9562 eV Re[Sigma]= -60.939338 meV Im[Sigma]= 54.079231 meV Z= 1.015662 lam= -0.015420
|
|
E( 2 )= 13.8880 eV Re[Sigma]= 192.164175 meV Im[Sigma]= 558.514600 meV Z= 1.288305 lam= -0.223786
|
|
E( 3 )= 13.8900 eV Re[Sigma]= 258.975082 meV Im[Sigma]= 709.031182 meV Z= 1.380500 lam= -0.275625
|
|
E( 4 )= 13.8900 eV Re[Sigma]= 258.975082 meV Im[Sigma]= 709.031182 meV Z= 1.380500 lam= -0.275625
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.0000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9568 eV Re[Sigma]= -60.462849 meV Im[Sigma]= 55.389857 meV Z= 1.016451 lam= -0.016184
|
|
E( 2 )= 13.8908 eV Re[Sigma]= 233.606034 meV Im[Sigma]= 675.855362 meV Z= 1.367087 lam= -0.268518
|
|
E( 3 )= 13.8908 eV Re[Sigma]= 233.606034 meV Im[Sigma]= 675.855362 meV Z= 1.367087 lam= -0.268518
|
|
E( 4 )= 13.8908 eV Re[Sigma]= 233.606034 meV Im[Sigma]= 675.855362 meV Z= 1.367087 lam= -0.268518
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.0050000 0.0050000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9560 eV Re[Sigma]= -61.036262 meV Im[Sigma]= 53.883468 meV Z= 1.015545 lam= -0.015307
|
|
E( 2 )= 13.8888 eV Re[Sigma]= 228.434366 meV Im[Sigma]= 660.978543 meV Z= 1.353129 lam= -0.260972
|
|
E( 3 )= 13.8889 eV Re[Sigma]= 241.226797 meV Im[Sigma]= 654.245845 meV Z= 1.342160 lam= -0.254933
|
|
E( 4 )= 13.8889 eV Re[Sigma]= 241.226797 meV Im[Sigma]= 654.245845 meV Z= 1.342160 lam= -0.254933
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.0100000 0.0100000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9535 eV Re[Sigma]= -61.663776 meV Im[Sigma]= 52.424846 meV Z= 1.014674 lam= -0.014462
|
|
E( 2 )= 13.8831 eV Re[Sigma]= 231.297084 meV Im[Sigma]= 642.411419 meV Z= 1.333187 lam= -0.249918
|
|
E( 3 )= 13.8833 eV Re[Sigma]= 243.763687 meV Im[Sigma]= 634.930486 meV Z= 1.322122 lam= -0.243640
|
|
E( 4 )= 13.8833 eV Re[Sigma]= 243.763687 meV Im[Sigma]= 634.930486 meV Z= 1.322122 lam= -0.243640
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.0150000 0.0150000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9495 eV Re[Sigma]= -62.347778 meV Im[Sigma]= 51.013120 meV Z= 1.013836 lam= -0.013648
|
|
E( 2 )= 13.8735 eV Re[Sigma]= 233.462301 meV Im[Sigma]= 624.357030 meV Z= 1.314680 lam= -0.239359
|
|
E( 3 )= 13.8740 eV Re[Sigma]= 245.673069 meV Im[Sigma]= 615.922512 meV Z= 1.303328 lam= -0.232733
|
|
E( 4 )= 13.8740 eV Re[Sigma]= 245.673069 meV Im[Sigma]= 615.922512 meV Z= 1.303328 lam= -0.232733
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.0200000 0.0200000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9439 eV Re[Sigma]= -63.089049 meV Im[Sigma]= 49.647285 meV Z= 1.013031 lam= -0.012863
|
|
E( 2 )= 13.8600 eV Re[Sigma]= 234.990663 meV Im[Sigma]= 606.871512 meV Z= 1.297585 lam= -0.229337
|
|
E( 3 )= 13.8610 eV Re[Sigma]= 247.012876 meV Im[Sigma]= 597.282827 meV Z= 1.285766 lam= -0.222254
|
|
E( 4 )= 13.8610 eV Re[Sigma]= 247.012876 meV Im[Sigma]= 597.282827 meV Z= 1.285766 lam= -0.222254
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.0250000 0.0250000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9367 eV Re[Sigma]= -63.889387 meV Im[Sigma]= 48.326240 meV Z= 1.012255 lam= -0.012107
|
|
E( 2 )= 13.8427 eV Re[Sigma]= 235.939587 meV Im[Sigma]= 589.995716 meV Z= 1.281849 lam= -0.219877
|
|
E( 3 )= 13.8443 eV Re[Sigma]= 247.838732 meV Im[Sigma]= 579.057605 meV Z= 1.269400 lam= -0.212226
|
|
E( 4 )= 13.8443 eV Re[Sigma]= 247.838732 meV Im[Sigma]= 579.057605 meV Z= 1.269400 lam= -0.212226
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.0300000 0.0300000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9278 eV Re[Sigma]= -64.750203 meV Im[Sigma]= 47.048809 meV Z= 1.011510 lam= -0.011379
|
|
E( 2 )= 13.8216 eV Re[Sigma]= 236.363033 meV Im[Sigma]= 573.757340 meV Z= 1.267408 lam= -0.210988
|
|
E( 3 )= 13.8239 eV Re[Sigma]= 248.203702 meV Im[Sigma]= 561.280459 meV Z= 1.254173 lam= -0.202662
|
|
E( 4 )= 13.8239 eV Re[Sigma]= 248.203702 meV Im[Sigma]= 561.280459 meV Z= 1.254173 lam= -0.202662
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.0350000 0.0350000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9173 eV Re[Sigma]= -65.674550 meV Im[Sigma]= 45.813768 meV Z= 1.010791 lam= -0.010676
|
|
E( 2 )= 13.7966 eV Re[Sigma]= 236.311410 meV Im[Sigma]= 558.173013 meV Z= 1.254182 lam= -0.202668
|
|
E( 3 )= 13.7998 eV Re[Sigma]= 248.156982 meV Im[Sigma]= 543.974381 meV Z= 1.240021 lam= -0.193562
|
|
E( 4 )= 13.7998 eV Re[Sigma]= 248.156982 meV Im[Sigma]= 543.974381 meV Z= 1.240021 lam= -0.193562
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.0400000 0.0400000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.9052 eV Re[Sigma]= -66.661811 meV Im[Sigma]= 44.619864 meV Z= 1.010099 lam= -0.009998
|
|
E( 2 )= 13.7679 eV Re[Sigma]= 235.831144 meV Im[Sigma]= 543.250188 meV Z= 1.242092 lam= -0.194907
|
|
E( 3 )= 13.7721 eV Re[Sigma]= 247.746858 meV Im[Sigma]= 527.153498 meV Z= 1.226871 lam= -0.184919
|
|
E( 4 )= 13.7721 eV Re[Sigma]= 247.746858 meV Im[Sigma]= 527.153498 meV Z= 1.226871 lam= -0.184919
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.0450000 0.0450000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8914 eV Re[Sigma]= -67.711328 meV Im[Sigma]= 43.465827 meV Z= 1.009433 lam= -0.009344
|
|
E( 2 )= 13.7353 eV Re[Sigma]= 234.965311 meV Im[Sigma]= 528.988823 meV Z= 1.231054 lam= -0.187688
|
|
E( 3 )= 13.7408 eV Re[Sigma]= 247.018015 meV Im[Sigma]= 510.824639 meV Z= 1.214651 lam= -0.176718
|
|
E( 4 )= 13.7408 eV Re[Sigma]= 247.018015 meV Im[Sigma]= 510.824639 meV Z= 1.214651 lam= -0.176718
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.0500000 0.0500000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8760 eV Re[Sigma]= -68.822758 meV Im[Sigma]= 42.350385 meV Z= 1.008790 lam= -0.008713
|
|
E( 2 )= 13.6990 eV Re[Sigma]= 233.753414 meV Im[Sigma]= 515.382859 meV Z= 1.220989 lam= -0.180992
|
|
E( 3 )= 13.7060 eV Re[Sigma]= 246.012015 meV Im[Sigma]= 494.988723 meV Z= 1.203287 lam= -0.168943
|
|
E( 4 )= 13.7060 eV Re[Sigma]= 246.012015 meV Im[Sigma]= 494.988723 meV Z= 1.203287 lam= -0.168943
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.0550000 0.0550000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8588 eV Re[Sigma]= -69.996031 meV Im[Sigma]= 41.272274 meV Z= 1.008170 lam= -0.008104
|
|
E( 2 )= 13.6590 eV Re[Sigma]= 232.231575 meV Im[Sigma]= 502.421505 meV Z= 1.211819 lam= -0.174795
|
|
E( 3 )= 13.6676 eV Re[Sigma]= 244.767555 meV Im[Sigma]= 479.641964 meV Z= 1.192709 lam= -0.161572
|
|
E( 4 )= 13.6676 eV Re[Sigma]= 244.767555 meV Im[Sigma]= 479.641964 meV Z= 1.192709 lam= -0.161572
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.0600000 0.0600000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8400 eV Re[Sigma]= -71.233086 meV Im[Sigma]= 40.230249 meV Z= 1.007571 lam= -0.007514
|
|
E( 2 )= 13.6151 eV Re[Sigma]= 230.432409 meV Im[Sigma]= 490.090347 meV Z= 1.203472 lam= -0.169071
|
|
E( 3 )= 13.6257 eV Re[Sigma]= 243.320277 meV Im[Sigma]= 464.776910 meV Z= 1.182850 lam= -0.154585
|
|
E( 4 )= 13.6257 eV Re[Sigma]= 243.320277 meV Im[Sigma]= 464.776910 meV Z= 1.182850 lam= -0.154585
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.0650000 0.0650000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.8195 eV Re[Sigma]= -72.534177 meV Im[Sigma]= 39.223084 meV Z= 1.006991 lam= -0.006943
|
|
E( 2 )= 13.5676 eV Re[Sigma]= 228.385861 meV Im[Sigma]= 478.372308 meV Z= 1.195877 lam= -0.163794
|
|
E( 3 )= 13.5804 eV Re[Sigma]= 241.703535 meV Im[Sigma]= 450.383333 meV Z= 1.173648 lam= -0.147956
|
|
E( 4 )= 13.5804 eV Re[Sigma]= 241.703535 meV Im[Sigma]= 450.383333 meV Z= 1.173648 lam= -0.147956
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.0700000 0.0700000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7972 eV Re[Sigma]= -73.899455 meV Im[Sigma]= 38.249580 meV Z= 1.006430 lam= -0.006389
|
|
E( 2 )= 13.5164 eV Re[Sigma]= 226.119189 meV Im[Sigma]= 467.248472 meV Z= 1.188973 lam= -0.158938
|
|
E( 3 )= 13.5317 eV Re[Sigma]= 239.948329 meV Im[Sigma]= 436.448992 meV Z= 1.165042 lam= -0.141662
|
|
E( 4 )= 13.5317 eV Re[Sigma]= 239.948329 meV Im[Sigma]= 436.448992 meV Z= 1.165042 lam= -0.141662
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.0750000 0.0750000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7731 eV Re[Sigma]= -75.328781 meV Im[Sigma]= 37.308572 meV Z= 1.005886 lam= -0.005851
|
|
E( 2 )= 13.4615 eV Re[Sigma]= 223.657189 meV Im[Sigma]= 456.698802 meV Z= 1.182700 lam= -0.154477
|
|
E( 3 )= 13.4797 eV Re[Sigma]= 238.083468 meV Im[Sigma]= 422.960272 meV Z= 1.156978 lam= -0.135679
|
|
E( 4 )= 13.4797 eV Re[Sigma]= 238.083468 meV Im[Sigma]= 422.960272 meV Z= 1.156978 lam= -0.135679
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.0800000 0.0800000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7473 eV Re[Sigma]= -76.822108 meV Im[Sigma]= 36.398924 meV Z= 1.005357 lam= -0.005329
|
|
E( 2 )= 13.4030 eV Re[Sigma]= 221.022362 meV Im[Sigma]= 446.702777 meV Z= 1.177004 lam= -0.150385
|
|
E( 3 )= 13.4244 eV Re[Sigma]= 236.135691 meV Im[Sigma]= 409.902738 meV Z= 1.149405 lam= -0.129985
|
|
E( 4 )= 13.4244 eV Re[Sigma]= 236.135691 meV Im[Sigma]= 409.902738 meV Z= 1.149405 lam= -0.129985
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.0850000 0.0850000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.7197 eV Re[Sigma]= -78.378892 meV Im[Sigma]= 35.519536 meV Z= 1.004844 lam= -0.004820
|
|
E( 2 )= 13.3408 eV Re[Sigma]= 218.235192 meV Im[Sigma]= 437.239967 meV Z= 1.171835 lam= -0.146637
|
|
E( 3 )= 13.3658 eV Re[Sigma]= 234.129893 meV Im[Sigma]= 397.261609 meV Z= 1.142276 lam= -0.124555
|
|
E( 4 )= 13.3658 eV Re[Sigma]= 234.129893 meV Im[Sigma]= 397.261609 meV Z= 1.142276 lam= -0.124555
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.0900000 0.0900000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6903 eV Re[Sigma]= -79.999217 meV Im[Sigma]= 34.669345 meV Z= 1.004344 lam= -0.004325
|
|
E( 2 )= 13.2751 eV Re[Sigma]= 215.314145 meV Im[Sigma]= 428.290590 meV Z= 1.167147 lam= -0.143210
|
|
E( 3 )= 13.3041 eV Re[Sigma]= 232.089096 meV Im[Sigma]= 385.022179 meV Z= 1.135549 lam= -0.119369
|
|
E( 4 )= 13.3041 eV Re[Sigma]= 232.089096 meV Im[Sigma]= 385.022179 meV Z= 1.135549 lam= -0.119369
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.0950000 0.0950000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6590 eV Re[Sigma]= -81.682285 meV Im[Sigma]= 33.847320 meV Z= 1.003856 lam= -0.003841
|
|
E( 2 )= 13.2058 eV Re[Sigma]= 212.276091 meV Im[Sigma]= 419.836074 meV Z= 1.162900 lam= -0.140081
|
|
E( 3 )= 13.2393 eV Re[Sigma]= 230.034816 meV Im[Sigma]= 373.170211 meV Z= 1.129185 lam= -0.114405
|
|
E( 4 )= 13.2393 eV Re[Sigma]= 230.034816 meV Im[Sigma]= 373.170211 meV Z= 1.129185 lam= -0.114405
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.1000000 0.1000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.6258 eV Re[Sigma]= -83.427988 meV Im[Sigma]= 33.052468 meV Z= 1.003380 lam= -0.003368
|
|
E( 2 )= 13.1330 eV Re[Sigma]= 209.136166 meV Im[Sigma]= 411.859677 meV Z= 1.159055 lam= -0.137228
|
|
E( 3 )= 13.1714 eV Re[Sigma]= 227.986916 meV Im[Sigma]= 361.692310 meV Z= 1.123146 lam= -0.109643
|
|
E( 4 )= 13.1714 eV Re[Sigma]= 227.986916 meV Im[Sigma]= 361.692310 meV Z= 1.123146 lam= -0.109643
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.1050000 0.1050000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5908 eV Re[Sigma]= -85.235689 meV Im[Sigma]= 32.283830 meV Z= 1.002914 lam= -0.002905
|
|
E( 2 )= 13.0567 eV Re[Sigma]= 205.908120 meV Im[Sigma]= 404.347190 meV Z= 1.155578 lam= -0.134632
|
|
E( 3 )= 13.1006 eV Re[Sigma]= 225.963920 meV Im[Sigma]= 350.576322 meV Z= 1.117400 lam= -0.105065
|
|
E( 4 )= 13.1006 eV Re[Sigma]= 225.963920 meV Im[Sigma]= 350.576322 meV Z= 1.117400 lam= -0.105065
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.1100000 0.1100000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5539 eV Re[Sigma]= -87.104709 meV Im[Sigma]= 31.540479 meV Z= 1.002457 lam= -0.002451
|
|
E( 2 )= 12.9770 eV Re[Sigma]= 202.604311 meV Im[Sigma]= 397.287802 meV Z= 1.152437 lam= -0.132274
|
|
E( 3 )= 13.0270 eV Re[Sigma]= 223.983002 meV Im[Sigma]= 339.811755 meV Z= 1.111917 lam= -0.100652
|
|
E( 4 )= 13.0270 eV Re[Sigma]= 223.983002 meV Im[Sigma]= 339.811755 meV Z= 1.111917 lam= -0.100652
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.1150000 0.1150000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.5150 eV Re[Sigma]= -89.034424 meV Im[Sigma]= 30.821523 meV Z= 1.002009 lam= -0.002005
|
|
E( 2 )= 12.8939 eV Re[Sigma]= 199.235758 meV Im[Sigma]= 390.675131 meV Z= 1.149605 lam= -0.130136
|
|
E( 3 )= 12.9505 eV Re[Sigma]= 222.060053 meV Im[Sigma]= 329.390262 meV Z= 1.106671 lam= -0.096389
|
|
E( 4 )= 12.9505 eV Re[Sigma]= 222.060053 meV Im[Sigma]= 329.390262 meV Z= 1.106671 lam= -0.096389
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.1200000 0.1200000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.4742 eV Re[Sigma]= -91.023881 meV Im[Sigma]= 30.126100 meV Z= 1.001568 lam= -0.001565
|
|
E( 2 )= 12.8074 eV Re[Sigma]= 195.812230 meV Im[Sigma]= 384.508471 meV Z= 1.147057 lam= -0.128203
|
|
E( 3 )= 12.8713 eV Re[Sigma]= 220.209786 meV Im[Sigma]= 319.306179 meV Z= 1.101635 lam= -0.092258
|
|
E( 4 )= 12.8713 eV Re[Sigma]= 220.209786 meV Im[Sigma]= 319.306179 meV Z= 1.101635 lam= -0.092258
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.1250000 0.1250000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.4314 eV Re[Sigma]= -93.072048 meV Im[Sigma]= 29.453380 meV Z= 1.001134 lam= -0.001132
|
|
E( 2 )= 12.7176 eV Re[Sigma]= 192.342168 meV Im[Sigma]= 378.794224 meV Z= 1.144771 lam= -0.126463
|
|
E( 3 )= 12.7895 eV Re[Sigma]= 218.445734 meV Im[Sigma]= 309.557115 meV Z= 1.096789 lam= -0.088248
|
|
E( 4 )= 12.7895 eV Re[Sigma]= 218.445734 meV Im[Sigma]= 309.557115 meV Z= 1.096789 lam= -0.088248
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.1300000 0.1300000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.3866 eV Re[Sigma]= -95.178989 meV Im[Sigma]= 28.802560 meV Z= 1.000705 lam= -0.000704
|
|
E( 2 )= 12.6245 eV Re[Sigma]= 188.832420 meV Im[Sigma]= 373.547428 meV Z= 1.142729 lam= -0.124902
|
|
E( 3 )= 12.7051 eV Re[Sigma]= 216.780088 meV Im[Sigma]= 300.144570 meV Z= 1.092114 lam= -0.084344
|
|
E( 4 )= 12.7051 eV Re[Sigma]= 216.780088 meV Im[Sigma]= 300.144570 meV Z= 1.092114 lam= -0.084344
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.1350000 0.1350000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.3398 eV Re[Sigma]= -97.347530 meV Im[Sigma]= 28.172866 meV Z= 1.000279 lam= -0.000279
|
|
E( 2 )= 12.5282 eV Re[Sigma]= 185.287793 meV Im[Sigma]= 368.793170 meV Z= 1.140920 lam= -0.123514
|
|
E( 3 )= 12.6183 eV Re[Sigma]= 215.223428 meV Im[Sigma]= 291.074497 meV Z= 1.087592 lam= -0.080538
|
|
E( 4 )= 12.6183 eV Re[Sigma]= 215.223428 meV Im[Sigma]= 291.074497 meV Z= 1.087592 lam= -0.080538
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.1400000 0.1400000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.2909 eV Re[Sigma]= -99.579016 meV Im[Sigma]= 27.563550 meV Z= 0.999856 lam= 0.000144
|
|
E( 2 )= 12.4288 eV Re[Sigma]= 181.711273 meV Im[Sigma]= 364.567561 meV Z= 1.139336 lam= -0.122296
|
|
E( 3 )= 12.5291 eV Re[Sigma]= 213.785246 meV Im[Sigma]= 282.357714 meV Z= 1.083211 lam= -0.076819
|
|
E( 4 )= 12.5291 eV Re[Sigma]= 213.785246 meV Im[Sigma]= 282.357714 meV Z= 1.083211 lam= -0.076819
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.1450000 0.1450000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.2400 eV Re[Sigma]= -101.871128 meV Im[Sigma]= 26.973889 meV Z= 0.999434 lam= 0.000566
|
|
E( 2 )= 12.3262 eV Re[Sigma]= 178.103762 meV Im[Sigma]= 360.917749 meV Z= 1.137977 lam= -0.121248
|
|
E( 3 )= 12.4376 eV Re[Sigma]= 212.474135 meV Im[Sigma]= 274.009997 meV Z= 1.078962 lam= -0.073183
|
|
E( 4 )= 12.4376 eV Re[Sigma]= 212.474135 meV Im[Sigma]= 274.009997 meV Z= 1.078962 lam= -0.073183
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.1500000 0.1500000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.1870 eV Re[Sigma]= -104.221954 meV Im[Sigma]= 26.403184 meV Z= 0.999012 lam= 0.000989
|
|
E( 2 )= 12.2205 eV Re[Sigma]= 174.462635 meV Im[Sigma]= 357.900353 meV Z= 1.136857 lam= -0.120382
|
|
E( 3 )= 12.3439 eV Re[Sigma]= 211.297012 meV Im[Sigma]= 266.051674 meV Z= 1.074839 lam= -0.069628
|
|
E( 4 )= 12.3439 eV Re[Sigma]= 211.297012 meV Im[Sigma]= 266.051674 meV Z= 1.074839 lam= -0.069628
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.1550000 0.1550000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.1319 eV Re[Sigma]= -106.630652 meV Im[Sigma]= 25.850763 meV Z= 0.998590 lam= 0.001412
|
|
E( 2 )= 12.1119 eV Re[Sigma]= 170.780369 meV Im[Sigma]= 355.577637 meV Z= 1.136001 lam= -0.119719
|
|
E( 3 )= 12.2482 eV Re[Sigma]= 210.258707 meV Im[Sigma]= 258.506511 meV Z= 1.070841 lam= -0.066155
|
|
E( 4 )= 12.2482 eV Re[Sigma]= 210.258707 meV Im[Sigma]= 258.506511 meV Z= 1.070841 lam= -0.066155
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.1600000 0.1600000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.0747 eV Re[Sigma]= -109.096830 meV Im[Sigma]= 25.315983 meV Z= 0.998167 lam= 0.001837
|
|
E( 2 )= 12.0002 eV Re[Sigma]= 167.042845 meV Im[Sigma]= 354.010907 meV Z= 1.135456 lam= -0.119297
|
|
E( 3 )= 12.1505 eV Re[Sigma]= 209.361638 meV Im[Sigma]= 251.399734 meV Z= 1.066977 lam= -0.062773
|
|
E( 4 )= 12.1505 eV Re[Sigma]= 209.361638 meV Im[Sigma]= 251.399734 meV Z= 1.066977 lam= -0.062773
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.1650000 0.1650000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -7.0154 eV Re[Sigma]= -111.620278 meV Im[Sigma]= 24.798254 meV Z= 0.997740 lam= 0.002265
|
|
E( 2 )= 11.8857 eV Re[Sigma]= 163.227070 meV Im[Sigma]= 353.251002 meV Z= 1.135290 lam= -0.119168
|
|
E( 3 )= 12.0509 eV Re[Sigma]= 208.605295 meV Im[Sigma]= 244.755110 meV Z= 1.063259 lam= -0.059496
|
|
E( 4 )= 12.0509 eV Re[Sigma]= 208.605295 meV Im[Sigma]= 244.755110 meV Z= 1.063259 lam= -0.059496
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.1700000 0.1700000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.9539 eV Re[Sigma]= -114.200917 meV Im[Sigma]= 24.297093 meV Z= 0.997310 lam= 0.002698
|
|
E( 2 )= 11.7683 eV Re[Sigma]= 159.298532 meV Im[Sigma]= 353.326454 meV Z= 1.135596 lam= -0.119405
|
|
E( 3 )= 11.9495 eV Re[Sigma]= 207.985575 meV Im[Sigma]= 238.591205 meV Z= 1.059711 lam= -0.056347
|
|
E( 4 )= 11.9495 eV Re[Sigma]= 207.985575 meV Im[Sigma]= 238.591205 meV Z= 1.059711 lam= -0.056347
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.1750000 0.1750000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.8903 eV Re[Sigma]= -116.838784 meV Im[Sigma]= 23.812276 meV Z= 0.996873 lam= 0.003136
|
|
E( 2 )= 11.6482 eV Re[Sigma]= 155.208907 meV Im[Sigma]= 354.230837 meV Z= 1.136478 lam= -0.120088
|
|
E( 3 )= 11.8465 eV Re[Sigma]= 207.494076 meV Im[Sigma]= 232.917140 meV Z= 1.056363 lam= -0.053355
|
|
E( 4 )= 11.8465 eV Re[Sigma]= 207.494076 meV Im[Sigma]= 232.917140 meV Z= 1.056363 lam= -0.053355
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.1800000 0.1800000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.8245 eV Re[Sigma]= -119.534035 meV Im[Sigma]= 23.344183 meV Z= 0.996430 lam= 0.003582
|
|
E( 2 )= 11.5253 eV Re[Sigma]= 150.895734 meV Im[Sigma]= 355.911923 meV Z= 1.138024 lam= -0.121284
|
|
E( 3 )= 11.7419 eV Re[Sigma]= 207.117514 meV Im[Sigma]= 227.728465 meV Z= 1.053250 lam= -0.050558
|
|
E( 4 )= 11.7419 eV Re[Sigma]= 207.117514 meV Im[Sigma]= 227.728465 meV Z= 1.053250 lam= -0.050558
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.1850000 0.1850000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.7566 eV Re[Sigma]= -122.286923 meV Im[Sigma]= 22.894541 meV Z= 0.995980 lam= 0.004037
|
|
E( 2 )= 11.3998 eV Re[Sigma]= 146.286668 meV Im[Sigma]= 358.266295 meV Z= 1.140251 lam= -0.123000
|
|
E( 3 )= 11.6358 eV Re[Sigma]= 206.837653 meV Im[Sigma]= 223.004117 meV Z= 1.050408 lam= -0.047989
|
|
E( 4 )= 11.6358 eV Re[Sigma]= 206.837653 meV Im[Sigma]= 223.004117 meV Z= 1.050408 lam= -0.047989
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.1900000 0.1900000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.6864 eV Re[Sigma]= -125.097742 meV Im[Sigma]= 22.467825 meV Z= 0.995520 lam= 0.004500
|
|
E( 2 )= 11.2717 eV Re[Sigma]= 141.310937 meV Im[Sigma]= 361.144002 meV Z= 1.143029 lam= -0.125132
|
|
E( 3 )= 11.5284 eV Re[Sigma]= 206.632253 meV Im[Sigma]= 218.705790 meV Z= 1.047858 lam= -0.045672
|
|
E( 4 )= 11.5284 eV Re[Sigma]= 206.632253 meV Im[Sigma]= 218.705790 meV Z= 1.047858 lam= -0.045672
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.1950000 0.1950000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.6141 eV Re[Sigma]= -127.966702 meV Im[Sigma]= 22.073622 meV Z= 0.995053 lam= 0.004971
|
|
E( 2 )= 11.1410 eV Re[Sigma]= 135.917715 meV Im[Sigma]= 364.368190 meV Z= 1.146040 lam= -0.127430
|
|
E( 3 )= 11.4198 eV Re[Sigma]= 206.477634 meV Im[Sigma]= 214.781564 meV Z= 1.045592 lam= -0.043604
|
|
E( 4 )= 11.4198 eV Re[Sigma]= 206.477634 meV Im[Sigma]= 214.781564 meV Z= 1.045592 lam= -0.043604
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.2000000 0.2000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.5396 eV Re[Sigma]= -130.893683 meV Im[Sigma]= 21.730039 meV Z= 0.994580 lam= 0.005450
|
|
E( 2 )= 11.0080 eV Re[Sigma]= 130.094719 meV Im[Sigma]= 367.773393 meV Z= 1.148824 lam= -0.129545
|
|
E( 3 )= 11.3100 eV Re[Sigma]= 206.353041 meV Im[Sigma]= 211.176040 meV Z= 1.043554 lam= -0.041736
|
|
E( 4 )= 11.3100 eV Re[Sigma]= 206.353041 meV Im[Sigma]= 211.176040 meV Z= 1.043554 lam= -0.041736
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.2050000 0.2050000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.4629 eV Re[Sigma]= -133.877754 meV Im[Sigma]= 21.467713 meV Z= 0.994106 lam= 0.005929
|
|
E( 2 )= 10.8725 eV Re[Sigma]= 123.875086 meV Im[Sigma]= 371.260299 meV Z= 1.150938 lam= -0.131144
|
|
E( 3 )= 11.1993 eV Re[Sigma]= 206.245943 meV Im[Sigma]= 207.849001 meV Z= 1.041643 lam= -0.039979
|
|
E( 4 )= 11.1993 eV Re[Sigma]= 206.245943 meV Im[Sigma]= 207.849001 meV Z= 1.041643 lam= -0.039979
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.2100000 0.2100000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.3840 eV Re[Sigma]= -136.916295 meV Im[Sigma]= 21.332988 meV Z= 0.993642 lam= 0.006399
|
|
E( 2 )= 10.7347 eV Re[Sigma]= 117.323238 meV Im[Sigma]= 374.850828 meV Z= 1.152144 lam= -0.132053
|
|
E( 3 )= 11.0876 eV Re[Sigma]= 206.155938 meV Im[Sigma]= 204.802447 meV Z= 1.039732 lam= -0.038214
|
|
E( 4 )= 11.0876 eV Re[Sigma]= 206.155938 meV Im[Sigma]= 204.802447 meV Z= 1.039732 lam= -0.038214
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.2150000 0.2150000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.3029 eV Re[Sigma]= -140.003440 meV Im[Sigma]= 21.387841 meV Z= 0.993209 lam= 0.006837
|
|
E( 2 )= 10.5947 eV Re[Sigma]= 110.499847 meV Im[Sigma]= 378.707085 meV Z= 1.152528 lam= -0.132342
|
|
E( 3 )= 10.9751 eV Re[Sigma]= 206.093854 meV Im[Sigma]= 202.110513 meV Z= 1.037713 lam= -0.036342
|
|
E( 4 )= 10.9751 eV Re[Sigma]= 206.093854 meV Im[Sigma]= 202.110513 meV Z= 1.037713 lam= -0.036342
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.2200000 0.2200000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.2196 eV Re[Sigma]= -143.127429 meV Im[Sigma]= 21.703637 meV Z= 0.992845 lam= 0.007207
|
|
E( 2 )= 10.4525 eV Re[Sigma]= 103.411493 meV Im[Sigma]= 383.067034 meV Z= 1.152548 lam= -0.132357
|
|
E( 3 )= 10.8620 eV Re[Sigma]= 206.072885 meV Im[Sigma]= 199.938880 meV Z= 1.035561 lam= -0.034340
|
|
E( 4 )= 10.8620 eV Re[Sigma]= 206.072885 meV Im[Sigma]= 199.938880 meV Z= 1.035561 lam= -0.034340
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.2250000 0.2250000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.1342 eV Re[Sigma]= -146.266527 meV Im[Sigma]= 22.346988 meV Z= 0.992610 lam= 0.007445
|
|
E( 2 )= 10.3083 eV Re[Sigma]= 95.951489 meV Im[Sigma]= 388.077015 meV Z= 1.152981 lam= -0.132683
|
|
E( 3 )= 10.7483 eV Re[Sigma]= 206.089787 meV Im[Sigma]= 198.534549 meV Z= 1.033392 lam= -0.032313
|
|
E( 4 )= 10.7483 eV Re[Sigma]= 206.089787 meV Im[Sigma]= 198.534549 meV Z= 1.033392 lam= -0.032313
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.2300000 0.2300000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -6.0466 eV Re[Sigma]= -149.383786 meV Im[Sigma]= 23.358980 meV Z= 0.992590 lam= 0.007466
|
|
E( 2 )= 10.1620 eV Re[Sigma]= 87.860825 meV Im[Sigma]= 393.577679 meV Z= 1.154606 lam= -0.133903
|
|
E( 3 )= 10.6342 eV Re[Sigma]= 206.095635 meV Im[Sigma]= 198.170511 meV Z= 1.031501 lam= -0.030539
|
|
E( 4 )= 10.6342 eV Re[Sigma]= 206.095635 meV Im[Sigma]= 198.170511 meV Z= 1.031501 lam= -0.030539
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.2350000 0.2350000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.9569 eV Re[Sigma]= -152.423209 meV Im[Sigma]= 24.733336 meV Z= 0.992875 lam= 0.007176
|
|
E( 2 )= 10.0138 eV Re[Sigma]= 78.804095 meV Im[Sigma]= 398.979807 meV Z= 1.157294 lam= -0.135916
|
|
E( 3 )= 10.5197 eV Re[Sigma]= 205.960670 meV Im[Sigma]= 199.046644 meV Z= 1.030349 lam= -0.029455
|
|
E( 4 )= 10.5197 eV Re[Sigma]= 205.960670 meV Im[Sigma]= 199.046644 meV Z= 1.030349 lam= -0.029455
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.2400000 0.2400000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.8650 eV Re[Sigma]= -155.313903 meV Im[Sigma]= 26.402153 meV Z= 0.993500 lam= 0.006543
|
|
E( 2 )= 9.8637 eV Re[Sigma]= 68.623990 meV Im[Sigma]= 403.359062 meV Z= 1.159446 lam= -0.137519
|
|
E( 3 )= 10.4050 eV Re[Sigma]= 205.455573 meV Im[Sigma]= 201.172311 meV Z= 1.030377 lam= -0.029482
|
|
E( 4 )= 10.4050 eV Re[Sigma]= 205.455573 meV Im[Sigma]= 201.172311 meV Z= 1.030377 lam= -0.029482
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.2450000 0.2450000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.7710 eV Re[Sigma]= -157.989820 meV Im[Sigma]= 28.237449 meV Z= 0.994355 lam= 0.005677
|
|
E( 2 )= 9.7118 eV Re[Sigma]= 57.522372 meV Im[Sigma]= 405.763635 meV Z= 1.159415 lam= -0.137496
|
|
E( 3 )= 10.2902 eV Re[Sigma]= 204.297421 meV Im[Sigma]= 204.276079 meV Z= 1.031597 lam= -0.030629
|
|
E( 4 )= 10.2902 eV Re[Sigma]= 204.297421 meV Im[Sigma]= 204.276079 meV Z= 1.031597 lam= -0.030629
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.2500000 0.2500000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.6749 eV Re[Sigma]= -160.420277 meV Im[Sigma]= 30.071549 meV Z= 0.995191 lam= 0.004832
|
|
E( 2 )= 9.5582 eV Re[Sigma]= 45.899186 meV Im[Sigma]= 405.560814 meV Z= 1.156972 lam= -0.135675
|
|
E( 3 )= 10.1754 eV Re[Sigma]= 202.275504 meV Im[Sigma]= 207.793131 meV Z= 1.033375 lam= -0.032297
|
|
E( 4 )= 10.1754 eV Re[Sigma]= 202.275504 meV Im[Sigma]= 207.793131 meV Z= 1.033375 lam= -0.032297
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.2550000 0.2550000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.5767 eV Re[Sigma]= -162.626852 meV Im[Sigma]= 31.731489 meV Z= 0.995754 lam= 0.004265
|
|
E( 2 )= 9.4030 eV Re[Sigma]= 34.104422 meV Im[Sigma]= 402.608854 meV Z= 1.152742 lam= -0.132503
|
|
E( 3 )= 10.0608 eV Re[Sigma]= 199.352527 meV Im[Sigma]= 210.963336 meV Z= 1.034883 lam= -0.033707
|
|
E( 4 )= 10.0608 eV Re[Sigma]= 199.352527 meV Im[Sigma]= 210.963336 meV Z= 1.034883 lam= -0.033707
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.2600000 0.2600000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.4764 eV Re[Sigma]= -164.669378 meV Im[Sigma]= 33.076020 meV Z= 0.995927 lam= 0.004089
|
|
E( 2 )= 9.2462 eV Re[Sigma]= 22.357500 meV Im[Sigma]= 397.177372 meV Z= 1.147311 lam= -0.128397
|
|
E( 3 )= 9.9464 eV Re[Sigma]= 195.662003 meV Im[Sigma]= 213.027054 meV Z= 1.035501 lam= -0.034283
|
|
E( 4 )= 9.9464 eV Re[Sigma]= 195.662003 meV Im[Sigma]= 213.027054 meV Z= 1.035501 lam= -0.034283
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.2650000 0.2650000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.3741 eV Re[Sigma]= -166.616276 meV Im[Sigma]= 34.022495 meV Z= 0.995743 lam= 0.004275
|
|
E( 2 )= 9.0880 eV Re[Sigma]= 10.779213 meV Im[Sigma]= 389.721604 meV Z= 1.140946 lam= -0.123534
|
|
E( 3 )= 9.8323 eV Re[Sigma]= 191.470203 meV Im[Sigma]= 213.445566 meV Z= 1.034867 lam= -0.033692
|
|
E( 4 )= 9.8323 eV Re[Sigma]= 191.470203 meV Im[Sigma]= 213.445566 meV Z= 1.034867 lam= -0.033692
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.2700000 0.2700000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.2698 eV Re[Sigma]= -168.523609 meV Im[Sigma]= 34.555555 meV Z= 0.995299 lam= 0.004723
|
|
E( 2 )= 8.9283 eV Re[Sigma]= -0.555848 meV Im[Sigma]= 380.680613 meV Z= 1.133649 lam= -0.117893
|
|
E( 3 )= 9.7187 eV Re[Sigma]= 187.095163 meV Im[Sigma]= 212.042471 meV Z= 1.033088 lam= -0.032028
|
|
E( 4 )= 9.7187 eV Re[Sigma]= 187.095163 meV Im[Sigma]= 212.042471 meV Z= 1.033088 lam= -0.032028
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.2750000 0.2750000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.1636 eV Re[Sigma]= -170.429092 meV Im[Sigma]= 34.717581 meV Z= 0.994690 lam= 0.005338
|
|
E( 2 )= 8.7673 eV Re[Sigma]= -11.582439 meV Im[Sigma]= 370.394053 meV Z= 1.125305 lam= -0.111352
|
|
E( 3 )= 9.6057 eV Re[Sigma]= 182.792153 meV Im[Sigma]= 208.999984 meV Z= 1.030626 lam= -0.029716
|
|
E( 4 )= 9.6057 eV Re[Sigma]= 182.792153 meV Im[Sigma]= 208.999984 meV Z= 1.030626 lam= -0.029716
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.2800000 0.2800000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -5.0553 eV Re[Sigma]= -172.354434 meV Im[Sigma]= 34.587656 meV Z= 0.993989 lam= 0.006047
|
|
E( 2 )= 8.6051 eV Re[Sigma]= -22.228486 meV Im[Sigma]= 359.120977 meV Z= 1.115831 lam= -0.103807
|
|
E( 3 )= 9.4933 eV Re[Sigma]= 178.708870 meV Im[Sigma]= 204.730435 meV Z= 1.027928 lam= -0.027169
|
|
E( 4 )= 9.4933 eV Re[Sigma]= 178.708870 meV Im[Sigma]= 204.730435 meV Z= 1.027928 lam= -0.027169
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.2850000 0.2850000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.9452 eV Re[Sigma]= -174.308441 meV Im[Sigma]= 34.258387 meV Z= 0.993243 lam= 0.006803
|
|
E( 2 )= 8.4417 eV Re[Sigma]= -32.416568 meV Im[Sigma]= 347.090386 meV Z= 1.105305 lam= -0.095273
|
|
E( 3 )= 9.3818 eV Re[Sigma]= 174.910081 meV Im[Sigma]= 199.709033 meV Z= 1.025271 lam= -0.024648
|
|
E( 4 )= 9.3818 eV Re[Sigma]= 174.910081 meV Im[Sigma]= 199.709033 meV Z= 1.025271 lam= -0.024648
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.2900000 0.2900000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.8331 eV Re[Sigma]= -176.291623 meV Im[Sigma]= 33.817958 meV Z= 0.992483 lam= 0.007574
|
|
E( 2 )= 8.2772 eV Re[Sigma]= -42.082279 meV Im[Sigma]= 334.522224 meV Z= 1.094074 lam= -0.085985
|
|
E( 3 )= 9.2711 eV Re[Sigma]= 171.413308 meV Im[Sigma]= 194.351822 meV Z= 1.022795 lam= -0.022287
|
|
E( 4 )= 9.2711 eV Re[Sigma]= 171.413308 meV Im[Sigma]= 194.351822 meV Z= 1.022795 lam= -0.022287
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.2950000 0.2950000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.7192 eV Re[Sigma]= -178.308591 meV Im[Sigma]= 33.340518 meV Z= 0.991726 lam= 0.008343
|
|
E( 2 )= 8.1117 eV Re[Sigma]= -51.208932 meV Im[Sigma]= 321.591869 meV Z= 1.082762 lam= -0.076436
|
|
E( 3 )= 9.1615 eV Re[Sigma]= 168.207774 meV Im[Sigma]= 188.970607 meV Z= 1.020564 lam= -0.020150
|
|
E( 4 )= 9.1615 eV Re[Sigma]= 168.207774 meV Im[Sigma]= 188.970607 meV Z= 1.020564 lam= -0.020150
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.3000000 0.3000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.6035 eV Re[Sigma]= -180.357768 meV Im[Sigma]= 32.884039 meV Z= 0.990984 lam= 0.009099
|
|
E( 2 )= 7.9453 eV Re[Sigma]= -59.853083 meV Im[Sigma]= 308.350146 meV Z= 1.072143 lam= -0.067289
|
|
E( 3 )= 9.0529 eV Re[Sigma]= 165.273276 meV Im[Sigma]= 183.785535 meV Z= 1.018605 lam= -0.018265
|
|
E( 4 )= 9.0529 eV Re[Sigma]= 165.273276 meV Im[Sigma]= 183.785535 meV Z= 1.018605 lam= -0.018265
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.3050000 0.3050000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.4860 eV Re[Sigma]= -182.432816 meV Im[Sigma]= 32.492723 meV Z= 0.990267 lam= 0.009829
|
|
E( 2 )= 7.7780 eV Re[Sigma]= -68.146525 meV Im[Sigma]= 294.648666 meV Z= 1.062838 lam= -0.059123
|
|
E( 3 )= 8.9456 eV Re[Sigma]= 162.584664 meV Im[Sigma]= 178.956698 meV Z= 1.016935 lam= -0.016653
|
|
E( 4 )= 8.9456 eV Re[Sigma]= 162.584664 meV Im[Sigma]= 178.956698 meV Z= 1.016935 lam= -0.016653
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.3100000 0.3100000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.3667 eV Re[Sigma]= -184.526206 meV Im[Sigma]= 32.200883 meV Z= 0.989586 lam= 0.010524
|
|
E( 2 )= 7.6099 eV Re[Sigma]= -76.241194 meV Im[Sigma]= 280.133912 meV Z= 1.055026 lam= -0.052156
|
|
E( 3 )= 8.8396 eV Re[Sigma]= 160.110040 meV Im[Sigma]= 174.604810 meV Z= 1.015578 lam= -0.015339
|
|
E( 4 )= 8.8396 eV Re[Sigma]= 160.110040 meV Im[Sigma]= 174.604810 meV Z= 1.015578 lam= -0.015339
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.3150000 0.3150000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.2458 eV Re[Sigma]= -186.629089 meV Im[Sigma]= 32.036218 meV Z= 0.988954 lam= 0.011169
|
|
E( 2 )= 7.4411 eV Re[Sigma]= -84.239600 meV Im[Sigma]= 264.338195 meV Z= 1.048498 lam= -0.046255
|
|
E( 3 )= 8.7350 eV Re[Sigma]= 157.807807 meV Im[Sigma]= 170.810604 meV Z= 1.014579 lam= -0.014370
|
|
E( 4 )= 8.7350 eV Re[Sigma]= 157.807807 meV Im[Sigma]= 170.810604 meV Z= 1.014579 lam= -0.014370
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.3200000 0.3200000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -4.1232 eV Re[Sigma]= -188.730634 meV Im[Sigma]= 32.021580 meV Z= 0.988387 lam= 0.011749
|
|
E( 2 )= 7.2717 eV Re[Sigma]= -92.166603 meV Im[Sigma]= 246.833612 meV Z= 1.042697 lam= -0.040949
|
|
E( 3 )= 8.6319 eV Re[Sigma]= 155.623411 meV Im[Sigma]= 167.600482 meV Z= 1.013992 lam= -0.013799
|
|
E( 4 )= 8.6319 eV Re[Sigma]= 155.623411 meV Im[Sigma]= 167.600482 meV Z= 1.013992 lam= -0.013799
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.3250000 0.3250000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.9989 eV Re[Sigma]= -190.818063 meV Im[Sigma]= 32.175187 meV Z= 0.987904 lam= 0.012244
|
|
E( 2 )= 7.1017 eV Re[Sigma]= -99.928576 meV Im[Sigma]= 227.384849 meV Z= 1.036561 lam= -0.035271
|
|
E( 3 )= 8.5305 eV Re[Sigma]= 153.492057 meV Im[Sigma]= 164.935373 meV Z= 1.013832 lam= -0.013644
|
|
E( 4 )= 8.5305 eV Re[Sigma]= 153.492057 meV Im[Sigma]= 164.935373 meV Z= 1.013832 lam= -0.013644
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.3300000 0.3300000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.8731 eV Re[Sigma]= -192.875520 meV Im[Sigma]= 32.509699 meV Z= 0.987529 lam= 0.012628
|
|
E( 2 )= 6.9312 eV Re[Sigma]= -107.247095 meV Im[Sigma]= 206.056959 meV Z= 1.028729 lam= -0.027926
|
|
E( 3 )= 8.4307 eV Re[Sigma]= 151.356924 meV Im[Sigma]= 162.717360 meV Z= 1.013999 lam= -0.013805
|
|
E( 4 )= 8.4307 eV Re[Sigma]= 151.356924 meV Im[Sigma]= 162.717360 meV Z= 1.013999 lam= -0.013805
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.3350000 0.3350000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.7457 eV Re[Sigma]= -194.884527 meV Im[Sigma]= 33.030711 meV Z= 0.987286 lam= 0.012877
|
|
E( 2 )= 6.7602 eV Re[Sigma]= -113.661222 meV Im[Sigma]= 183.264037 meV Z= 1.018380 lam= -0.018048
|
|
E( 3 )= 8.3328 eV Re[Sigma]= 149.195847 meV Im[Sigma]= 160.816278 meV Z= 1.014280 lam= -0.014079
|
|
E( 4 )= 8.3328 eV Re[Sigma]= 149.195847 meV Im[Sigma]= 160.816278 meV Z= 1.014280 lam= -0.014079
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.3400000 0.3400000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.6169 eV Re[Sigma]= -196.822997 meV Im[Sigma]= 33.735181 meV Z= 0.987200 lam= 0.012966
|
|
E( 2 )= 6.5889 eV Re[Sigma]= -118.680288 meV Im[Sigma]= 159.750826 meV Z= 1.006128 lam= -0.006091
|
|
E( 3 )= 8.2367 eV Re[Sigma]= 147.029337 meV Im[Sigma]= 159.104828 meV Z= 1.014500 lam= -0.014292
|
|
E( 4 )= 8.2367 eV Re[Sigma]= 147.029337 meV Im[Sigma]= 159.104828 meV Z= 1.014500 lam= -0.014292
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.3450000 0.3450000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.4866 eV Re[Sigma]= -198.666811 meV Im[Sigma]= 34.610268 meV Z= 0.987283 lam= 0.012881
|
|
E( 2 )= 6.4173 eV Re[Sigma]= -122.025025 meV Im[Sigma]= 136.498261 meV Z= 0.993844 lam= 0.006194
|
|
E( 3 )= 8.1427 eV Re[Sigma]= 144.897876 meV Im[Sigma]= 157.485680 meV Z= 1.014615 lam= -0.014404
|
|
E( 4 )= 8.1427 eV Re[Sigma]= 144.897876 meV Im[Sigma]= 157.485680 meV Z= 1.014615 lam= -0.014404
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.3500000 0.3500000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.3548 eV Re[Sigma]= -200.390303 meV Im[Sigma]= 35.632912 meV Z= 0.987532 lam= 0.012626
|
|
E( 2 )= 6.2455 eV Re[Sigma]= -123.760894 meV Im[Sigma]= 114.561930 meV Z= 0.983391 lam= 0.016889
|
|
E( 3 )= 8.0507 eV Re[Sigma]= 142.836436 meV Im[Sigma]= 155.900331 meV Z= 1.014673 lam= -0.014461
|
|
E( 4 )= 8.0507 eV Re[Sigma]= 142.836436 meV Im[Sigma]= 155.900331 meV Z= 1.014673 lam= -0.014461
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.3550000 0.3550000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.2218 eV Re[Sigma]= -201.969686 meV Im[Sigma]= 36.770405 meV Z= 0.987919 lam= 0.012229
|
|
E( 2 )= 6.0735 eV Re[Sigma]= -124.224033 meV Im[Sigma]= 94.882831 meV Z= 0.975642 lam= 0.024966
|
|
E( 3 )= 7.9608 eV Re[Sigma]= 140.864387 meV Im[Sigma]= 154.320854 meV Z= 1.014734 lam= -0.014520
|
|
E( 4 )= 7.9608 eV Re[Sigma]= 140.864387 meV Im[Sigma]= 154.320854 meV Z= 1.014734 lam= -0.014520
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.3600000 0.3600000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -3.0873 eV Re[Sigma]= -203.385262 meV Im[Sigma]= 37.981991 meV Z= 0.988389 lam= 0.011747
|
|
E( 2 )= 5.9013 eV Re[Sigma]= -123.844592 meV Im[Sigma]= 78.126103 meV Z= 0.970503 lam= 0.030393
|
|
E( 3 )= 7.8732 eV Re[Sigma]= 138.988054 meV Im[Sigma]= 152.733593 meV Z= 1.014839 lam= -0.014622
|
|
E( 4 )= 7.8732 eV Re[Sigma]= 138.988054 meV Im[Sigma]= 152.733593 meV Z= 1.014839 lam= -0.014622
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.3650000 0.3650000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.9516 eV Re[Sigma]= -204.625034 meV Im[Sigma]= 39.221438 meV Z= 0.988867 lam= 0.011258
|
|
E( 2 )= 5.7292 eV Re[Sigma]= -123.011397 meV Im[Sigma]= 64.590800 meV Z= 0.967426 lam= 0.033671
|
|
E( 3 )= 7.7880 eV Re[Sigma]= 137.205682 meV Im[Sigma]= 151.124538 meV Z= 1.015002 lam= -0.014780
|
|
E( 4 )= 7.7880 eV Re[Sigma]= 137.205682 meV Im[Sigma]= 151.124538 meV Z= 1.015002 lam= -0.014780
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.3700000 0.3700000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.8147 eV Re[Sigma]= -205.685556 meV Im[Sigma]= 40.440280 meV Z= 0.989275 lam= 0.010841
|
|
E( 2 )= 5.5570 eV Re[Sigma]= -122.020738 meV Im[Sigma]= 54.201049 meV Z= 0.965816 lam= 0.035394
|
|
E( 3 )= 7.7051 eV Re[Sigma]= 135.511978 meV Im[Sigma]= 149.471726 meV Z= 1.015222 lam= -0.014994
|
|
E( 4 )= 7.7051 eV Re[Sigma]= 135.511978 meV Im[Sigma]= 149.471726 meV Z= 1.015222 lam= -0.014994
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.3750000 0.3750000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.6766 eV Re[Sigma]= -206.572247 meV Im[Sigma]= 41.591426 meV Z= 0.989547 lam= 0.010563
|
|
E( 2 )= 5.3849 eV Re[Sigma]= -121.080686 meV Im[Sigma]= 46.558029 meV Z= 0.965205 lam= 0.036049
|
|
E( 3 )= 7.6247 eV Re[Sigma]= 133.900585 meV Im[Sigma]= 147.744962 meV Z= 1.015483 lam= -0.015247
|
|
E( 4 )= 7.6247 eV Re[Sigma]= 133.900585 meV Im[Sigma]= 147.744962 meV Z= 1.015483 lam= -0.015247
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.3800000 0.3800000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.5373 eV Re[Sigma]= -207.296605 meV Im[Sigma]= 42.632592 meV Z= 0.989641 lam= 0.010467
|
|
E( 2 )= 5.2130 eV Re[Sigma]= -120.332761 meV Im[Sigma]= 41.023079 meV Z= 0.965254 lam= 0.035997
|
|
E( 3 )= 7.5468 eV Re[Sigma]= 132.365932 meV Im[Sigma]= 145.910182 meV Z= 1.015761 lam= -0.015517
|
|
E( 4 )= 7.5468 eV Re[Sigma]= 132.365932 meV Im[Sigma]= 145.910182 meV Z= 1.015761 lam= -0.015517
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.3850000 0.3850000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.3970 eV Re[Sigma]= -207.873992 meV Im[Sigma]= 43.529314 meV Z= 0.989543 lam= 0.010568
|
|
E( 2 )= 5.0412 eV Re[Sigma]= -119.865203 meV Im[Sigma]= 36.819107 meV Z= 0.965666 lam= 0.035554
|
|
E( 3 )= 7.4716 eV Re[Sigma]= 130.903748 meV Im[Sigma]= 143.935373 meV Z= 1.016026 lam= -0.015773
|
|
E( 4 )= 7.4716 eV Re[Sigma]= 130.903748 meV Im[Sigma]= 143.935373 meV Z= 1.016026 lam= -0.015773
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.3900000 0.3900000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.2555 eV Re[Sigma]= -208.320130 meV Im[Sigma]= 44.256906 meV Z= 0.989259 lam= 0.010858
|
|
E( 2 )= 4.8696 eV Re[Sigma]= -119.696855 meV Im[Sigma]= 33.161256 meV Z= 0.966041 lam= 0.035153
|
|
E( 3 )= 7.3990 eV Re[Sigma]= 129.511748 meV Im[Sigma]= 141.795790 meV Z= 1.016242 lam= -0.015983
|
|
E( 4 )= 7.3990 eV Re[Sigma]= 129.511748 meV Im[Sigma]= 141.795790 meV Z= 1.016242 lam= -0.015983
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.3950000 0.3950000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -2.1131 eV Re[Sigma]= -208.649973 meV Im[Sigma]= 44.802214 meV Z= 0.988813 lam= 0.011314
|
|
E( 2 )= 4.6984 eV Re[Sigma]= -119.722853 meV Im[Sigma]= 29.424755 meV Z= 0.965771 lam= 0.035442
|
|
E( 3 )= 7.3292 eV Re[Sigma]= 128.189127 meV Im[Sigma]= 139.477452 meV Z= 1.016373 lam= -0.016109
|
|
E( 4 )= 7.3292 eV Re[Sigma]= 128.189127 meV Im[Sigma]= 139.477452 meV Z= 1.016373 lam= -0.016109
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.4000000 0.4000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.9697 eV Re[Sigma]= -208.874008 meV Im[Sigma]= 45.163181 meV Z= 0.988233 lam= 0.011908
|
|
E( 2 )= 4.5275 eV Re[Sigma]= -119.679037 meV Im[Sigma]= 25.313032 meV Z= 0.964396 lam= 0.036919
|
|
E( 3 )= 7.2623 eV Re[Sigma]= 126.937003 meV Im[Sigma]= 136.978723 meV Z= 1.016381 lam= -0.016117
|
|
E( 4 )= 7.2623 eV Re[Sigma]= 126.937003 meV Im[Sigma]= 136.978723 meV Z= 1.016381 lam= -0.016117
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.4050000 0.4050000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.8254 eV Re[Sigma]= -208.999377 meV Im[Sigma]= 45.350928 meV Z= 0.987551 lam= 0.012605
|
|
E( 2 )= 4.3570 eV Re[Sigma]= -119.264253 meV Im[Sigma]= 20.939283 meV Z= 0.962296 lam= 0.039181
|
|
E( 3 )= 7.1982 eV Re[Sigma]= 125.757068 meV Im[Sigma]= 134.310270 meV Z= 1.016234 lam= -0.015974
|
|
E( 4 )= 7.1982 eV Re[Sigma]= 125.757068 meV Im[Sigma]= 134.310270 meV Z= 1.016234 lam= -0.015974
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.4100000 0.4100000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.6803 eV Re[Sigma]= -209.026611 meV Im[Sigma]= 45.391184 meV Z= 0.986802 lam= 0.013374
|
|
E( 2 )= 4.1870 eV Re[Sigma]= -118.370116 meV Im[Sigma]= 16.748361 meV Z= 0.960470 lam= 0.041156
|
|
E( 3 )= 7.1370 eV Re[Sigma]= 124.651572 meV Im[Sigma]= 131.493825 meV Z= 1.015905 lam= -0.015656
|
|
E( 4 )= 7.1370 eV Re[Sigma]= 124.651572 meV Im[Sigma]= 131.493825 meV Z= 1.015905 lam= -0.015656
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.4150000 0.4150000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.5343 eV Re[Sigma]= -208.948979 meV Im[Sigma]= 45.332423 meV Z= 0.986018 lam= 0.014180
|
|
E( 2 )= 4.0175 eV Re[Sigma]= -117.122830 meV Im[Sigma]= 13.302583 meV Z= 0.959493 lam= 0.042217
|
|
E( 3 )= 7.0788 eV Re[Sigma]= 123.622173 meV Im[Sigma]= 128.560175 meV Z= 1.015380 lam= -0.015147
|
|
E( 4 )= 7.0788 eV Re[Sigma]= 123.622173 meV Im[Sigma]= 128.560175 meV Z= 1.015380 lam= -0.015147
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.4200000 0.4200000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.3877 eV Re[Sigma]= -208.750038 meV Im[Sigma]= 45.259519 meV Z= 0.985233 lam= 0.014989
|
|
E( 2 )= 3.8486 eV Re[Sigma]= -115.726615 meV Im[Sigma]= 11.056636 meV Z= 0.959307 lam= 0.042419
|
|
E( 3 )= 7.0237 eV Re[Sigma]= 122.669109 meV Im[Sigma]= 125.546676 meV Z= 1.014654 lam= -0.014443
|
|
E( 4 )= 7.0237 eV Re[Sigma]= 122.669109 meV Im[Sigma]= 125.546676 meV Z= 1.014654 lam= -0.014443
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.4250000 0.4250000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.2403 eV Re[Sigma]= -208.401463 meV Im[Sigma]= 45.304402 meV Z= 0.984479 lam= 0.015766
|
|
E( 2 )= 3.6804 eV Re[Sigma]= -114.346722 meV Im[Sigma]= 10.248437 meV Z= 0.959665 lam= 0.042031
|
|
E( 3 )= 6.9717 eV Re[Sigma]= 121.790825 meV Im[Sigma]= 122.494508 meV Z= 1.013736 lam= -0.013550
|
|
E( 4 )= 6.9717 eV Re[Sigma]= 121.790825 meV Im[Sigma]= 122.494508 meV Z= 1.013736 lam= -0.013550
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.4300000 0.4300000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -1.0924 eV Re[Sigma]= -207.864370 meV Im[Sigma]= 45.641190 meV Z= 0.983779 lam= 0.016489
|
|
E( 2 )= 3.5130 eV Re[Sigma]= -113.096903 meV Im[Sigma]= 10.926891 meV Z= 0.960417 lam= 0.041214
|
|
E( 3 )= 6.9228 eV Re[Sigma]= 120.983189 meV Im[Sigma]= 119.445759 meV Z= 1.012647 lam= -0.012489
|
|
E( 4 )= 6.9228 eV Re[Sigma]= 120.983189 meV Im[Sigma]= 119.445759 meV Z= 1.012647 lam= -0.012489
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.4350000 0.4350000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.9440 eV Re[Sigma]= -207.095530 meV Im[Sigma]= 46.444257 meV Z= 0.983151 lam= 0.017137
|
|
E( 2 )= 3.3464 eV Re[Sigma]= -112.074359 meV Im[Sigma]= 13.027556 meV Z= 0.961583 lam= 0.039952
|
|
E( 3 )= 6.8770 eV Re[Sigma]= 120.239157 meV Im[Sigma]= 116.440419 meV Z= 1.011417 lam= -0.011288
|
|
E( 4 )= 6.8770 eV Re[Sigma]= 120.239157 meV Im[Sigma]= 116.440419 meV Z= 1.011417 lam= -0.011288
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.4400000 0.4400000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.7953 eV Re[Sigma]= -206.050466 meV Im[Sigma]= 47.870855 meV Z= 0.982688 lam= 0.017617
|
|
E( 2 )= 3.1808 eV Re[Sigma]= -111.408707 meV Im[Sigma]= 16.393455 meV Z= 0.963348 lam= 0.038047
|
|
E( 3 )= 6.8345 eV Re[Sigma]= 119.548031 meV Im[Sigma]= 113.513371 meV Z= 1.010084 lam= -0.009983
|
|
E( 4 )= 6.8345 eV Re[Sigma]= 119.548031 meV Im[Sigma]= 113.513371 meV Z= 1.010084 lam= -0.009983
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.4450000 0.4450000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.6463 eV Re[Sigma]= -204.493056 meV Im[Sigma]= 50.662693 meV Z= 0.983266 lam= 0.017019
|
|
E( 2 )= 3.0163 eV Re[Sigma]= -111.351174 meV Im[Sigma]= 20.718935 meV Z= 0.965996 lam= 0.035201
|
|
E( 3 )= 6.7953 eV Re[Sigma]= 118.888678 meV Im[Sigma]= 110.691596 meV Z= 1.008692 lam= -0.008617
|
|
E( 4 )= 6.7953 eV Re[Sigma]= 118.888678 meV Im[Sigma]= 110.691596 meV Z= 1.008692 lam= -0.008617
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.4500000 0.4500000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.4974 eV Re[Sigma]= -201.962172 meV Im[Sigma]= 53.810202 meV Z= 0.985349 lam= 0.014869
|
|
E( 2 )= 2.8532 eV Re[Sigma]= -112.108280 meV Im[Sigma]= 25.492440 meV Z= 0.969552 lam= 0.031404
|
|
E( 3 )= 6.7594 eV Re[Sigma]= 118.251316 meV Im[Sigma]= 107.991902 meV Z= 1.007281 lam= -0.007228
|
|
E( 4 )= 6.7594 eV Re[Sigma]= 118.251316 meV Im[Sigma]= 107.991902 meV Z= 1.007281 lam= -0.007228
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.4550000 0.4550000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.3487 eV Re[Sigma]= -198.812784 meV Im[Sigma]= 55.209326 meV Z= 0.986784 lam= 0.013393
|
|
E( 2 )= 2.6917 eV Re[Sigma]= -113.749546 meV Im[Sigma]= 30.036671 meV Z= 0.973327 lam= 0.027404
|
|
E( 3 )= 6.7267 eV Re[Sigma]= 117.632234 meV Im[Sigma]= 105.419551 meV Z= 1.005886 lam= -0.005852
|
|
E( 4 )= 6.7267 eV Re[Sigma]= 117.632234 meV Im[Sigma]= 105.419551 meV Z= 1.005886 lam= -0.005852
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.4600000 0.4600000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.2006 eV Re[Sigma]= -195.281589 meV Im[Sigma]= 55.255244 meV Z= 0.986851 lam= 0.013324
|
|
E( 2 )= 2.5322 eV Re[Sigma]= -116.284236 meV Im[Sigma]= 33.667068 meV Z= 0.976147 lam= 0.024436
|
|
E( 3 )= 6.6975 eV Re[Sigma]= 117.006051 meV Im[Sigma]= 102.968159 meV Z= 1.004542 lam= -0.004522
|
|
E( 4 )= 6.6975 eV Re[Sigma]= 117.006051 meV Im[Sigma]= 102.968159 meV Z= 1.004542 lam= -0.004522
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.4650000 0.4650000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -0.0538 eV Re[Sigma]= -191.590836 meV Im[Sigma]= 54.233045 meV Z= 0.985778 lam= 0.014428
|
|
E( 2 )= 2.3752 eV Re[Sigma]= -119.466728 meV Im[Sigma]= 35.915510 meV Z= 0.977348 lam= 0.023177
|
|
E( 3 )= 6.6716 eV Re[Sigma]= 116.351873 meV Im[Sigma]= 100.621020 meV Z= 1.003274 lam= -0.003263
|
|
E( 4 )= 6.6716 eV Re[Sigma]= 116.351873 meV Im[Sigma]= 100.621020 meV Z= 1.003274 lam= -0.003263
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.4700000 0.4700000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.0909 eV Re[Sigma]= -187.807495 meV Im[Sigma]= 52.469875 meV Z= 0.984420 lam= 0.015826
|
|
E( 2 )= 2.2217 eV Re[Sigma]= -123.052490 meV Im[Sigma]= 36.677596 meV Z= 0.977276 lam= 0.023252
|
|
E( 3 )= 6.6491 eV Re[Sigma]= 115.648667 meV Im[Sigma]= 98.353797 meV Z= 1.002095 lam= -0.002090
|
|
E( 4 )= 6.6491 eV Re[Sigma]= 115.648667 meV Im[Sigma]= 98.353797 meV Z= 1.002095 lam= -0.002090
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.4750000 0.4750000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.2322 eV Re[Sigma]= -183.745417 meV Im[Sigma]= 50.334908 meV Z= 0.983343 lam= 0.016939
|
|
E( 2 )= 2.0731 eV Re[Sigma]= -127.012022 meV Im[Sigma]= 36.196491 meV Z= 0.976576 lam= 0.023986
|
|
E( 3 )= 6.6301 eV Re[Sigma]= 114.882119 meV Im[Sigma]= 96.138187 meV Z= 1.001006 lam= -0.001005
|
|
E( 4 )= 6.6301 eV Re[Sigma]= 114.882119 meV Im[Sigma]= 96.138187 meV Z= 1.001006 lam= -0.001005
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.4800000 0.4800000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.3675 eV Re[Sigma]= -179.027204 meV Im[Sigma]= 48.135464 meV Z= 0.982578 lam= 0.017731
|
|
E( 2 )= 1.9316 eV Re[Sigma]= -131.582048 meV Im[Sigma]= 34.904017 meV Z= 0.975609 lam= 0.025000
|
|
E( 3 )= 6.6145 eV Re[Sigma]= 114.042998 meV Im[Sigma]= 93.945974 meV Z= 0.999994 lam= 0.000006
|
|
E( 4 )= 6.6145 eV Re[Sigma]= 114.042998 meV Im[Sigma]= 93.945974 meV Z= 0.999994 lam= 0.000006
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.4850000 0.4850000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.4928 eV Re[Sigma]= -173.085569 meV Im[Sigma]= 46.056036 meV Z= 0.981973 lam= 0.018358
|
|
E( 2 )= 1.8017 eV Re[Sigma]= -137.284036 meV Im[Sigma]= 33.218813 meV Z= 0.974467 lam= 0.026202
|
|
E( 3 )= 6.6023 eV Re[Sigma]= 113.124100 meV Im[Sigma]= 91.752810 meV Z= 0.999035 lam= 0.000966
|
|
E( 4 )= 6.6023 eV Re[Sigma]= 113.124100 meV Im[Sigma]= 91.752810 meV Z= 0.999035 lam= 0.000966
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.4900000 0.4900000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.6003 eV Re[Sigma]= -165.124097 meV Im[Sigma]= 44.132677 meV Z= 0.981498 lam= 0.018851
|
|
E( 2 )= 1.6908 eV Re[Sigma]= -144.926536 meV Im[Sigma]= 31.440995 meV Z= 0.973138 lam= 0.027603
|
|
E( 3 )= 6.5936 eV Re[Sigma]= 112.122932 meV Im[Sigma]= 89.541127 meV Z= 0.998093 lam= 0.001910
|
|
E( 4 )= 6.5936 eV Re[Sigma]= 112.122932 meV Im[Sigma]= 89.541127 meV Z= 0.998093 lam= 0.001910
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.4950000 0.4950000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.6769 eV Re[Sigma]= -154.508087 meV Im[Sigma]= 42.243559 meV Z= 0.981241 lam= 0.019118
|
|
E( 2 )= 1.6122 eV Re[Sigma]= -155.174965 meV Im[Sigma]= 29.813821 meV Z= 0.971658 lam= 0.029169
|
|
E( 3 )= 6.5884 eV Re[Sigma]= 111.041588 meV Im[Sigma]= 87.301823 meV Z= 0.997132 lam= 0.002876
|
|
E( 4 )= 6.5884 eV Re[Sigma]= 111.041588 meV Im[Sigma]= 87.301823 meV Z= 0.997132 lam= 0.002876
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= 0.7055 eV Re[Sigma]= -142.450460 meV Im[Sigma]= 40.190516 meV Z= 0.981167 lam= 0.019195
|
|
E( 2 )= 1.5829 eV Re[Sigma]= -166.843435 meV Im[Sigma]= 28.618137 meV Z= 0.970247 lam= 0.030665
|
|
E( 3 )= 6.5866 eV Re[Sigma]= 109.885883 meV Im[Sigma]= 85.034624 meV Z= 0.996119 lam= 0.003896
|
|
E( 4 )= 6.5866 eV Re[Sigma]= 109.885883 meV Im[Sigma]= 85.034624 meV Z= 0.996119 lam= 0.003896
|
|
-------------------------------------------------------------------
|
|
|
|
1 1 -2.0314 -92.9967 488.1153 1.2646 -0.2092
|
|
2 1 -2.0404 -104.2977 502.4738 1.2762 -0.2164
|
|
3 1 -2.0668 -121.8212 494.0380 1.2657 -0.2099
|
|
4 1 -2.1086 -142.7173 466.2042 1.2385 -0.1926
|
|
5 1 -2.1632 -163.8554 425.8581 1.2039 -0.1694
|
|
6 1 -2.2281 -183.0308 380.3808 1.1693 -0.1448
|
|
7 1 -2.3010 -199.2353 335.2244 1.1382 -0.1214
|
|
8 1 -2.3799 -212.2559 293.0928 1.1105 -0.0995
|
|
9 1 -2.4632 -222.1297 254.5494 1.0848 -0.0782
|
|
10 1 -2.5499 -228.8471 219.1890 1.0601 -0.0567
|
|
11 1 -2.6391 -232.4167 186.5943 1.0372 -0.0359
|
|
12 1 -2.7300 -233.0818 156.7576 1.0180 -0.0176
|
|
13 1 -2.8223 -231.3871 130.0460 1.0034 -0.0034
|
|
14 1 -2.9156 -228.0223 106.9381 0.9934 0.0066
|
|
15 1 -3.0096 -223.6270 87.7532 0.9870 0.0132
|
|
16 1 -3.1040 -218.6918 72.4982 0.9832 0.0171
|
|
17 1 -3.1987 -213.5488 60.8593 0.9812 0.0192
|
|
18 1 -3.2937 -208.4017 52.2985 0.9802 0.0202
|
|
19 1 -3.3887 -203.3730 46.1880 0.9801 0.0203
|
|
20 1 -3.4838 -198.5439 41.9270 0.9804 0.0200
|
|
21 1 -3.5788 -193.9831 39.0102 0.9810 0.0193
|
|
22 1 -3.6737 -189.6936 37.0507 0.9818 0.0185
|
|
23 1 -3.7685 -185.6547 35.7706 0.9827 0.0176
|
|
24 1 -3.8631 -181.8530 34.9773 0.9837 0.0166
|
|
25 1 -3.9575 -178.2748 34.5384 0.9846 0.0156
|
|
26 1 -4.0516 -174.9053 34.3614 0.9856 0.0146
|
|
27 1 -4.1455 -171.7291 34.3801 0.9866 0.0136
|
|
28 1 -4.2390 -168.7312 34.5455 0.9876 0.0126
|
|
29 1 -4.3322 -165.8974 34.8207 0.9885 0.0116
|
|
30 1 -4.4250 -163.2145 35.1777 0.9894 0.0107
|
|
31 1 -4.5173 -160.6703 35.5952 0.9902 0.0098
|
|
32 1 -4.6092 -158.2542 36.0574 0.9911 0.0090
|
|
33 1 -4.7005 -155.9564 36.5521 0.9919 0.0082
|
|
34 1 -4.7914 -153.7685 37.0708 0.9927 0.0074
|
|
35 1 -4.8816 -151.6825 37.6067 0.9934 0.0066
|
|
36 1 -4.9711 -149.6816 38.1542 0.9941 0.0059
|
|
37 1 -5.0600 -147.7296 38.7076 0.9949 0.0052
|
|
38 1 -5.1482 -145.8845 39.2599 0.9956 0.0044
|
|
39 1 -5.2355 -144.1431 39.8008 0.9963 0.0037
|
|
40 1 -5.3221 -142.4869 40.3157 0.9970 0.0031
|
|
41 1 -5.4077 -140.9078 40.7833 0.9976 0.0024
|
|
42 1 -5.4925 -139.4005 41.1752 0.9983 0.0017
|
|
43 1 -5.5762 -137.9595 41.4555 0.9989 0.0011
|
|
44 1 -5.6589 -136.5782 41.5823 0.9995 0.0005
|
|
45 1 -5.7406 -135.2474 41.5114 1.0000 0.0000
|
|
46 1 -5.8211 -133.9547 41.2013 1.0004 -0.0004
|
|
47 1 -5.9005 -132.6823 40.6211 1.0007 -0.0007
|
|
48 1 -5.9786 -131.4050 39.7572 1.0008 -0.0008
|
|
49 1 -6.0555 -130.0925 38.6199 1.0007 -0.0007
|
|
50 1 -6.1311 -128.7057 37.2464 1.0003 -0.0003
|
|
51 1 -6.2054 -127.2083 35.6995 0.9996 0.0004
|
|
52 1 -6.2783 -125.5712 34.0618 0.9988 0.0012
|
|
53 1 -6.3498 -123.7817 32.4256 0.9979 0.0021
|
|
54 1 -6.4198 -121.8523 30.8815 0.9972 0.0028
|
|
55 1 -6.4884 -119.8116 29.5067 0.9967 0.0033
|
|
56 1 -6.5554 -117.6957 28.3572 0.9964 0.0036
|
|
57 1 -6.6209 -115.5434 27.4633 0.9964 0.0036
|
|
58 1 -6.6849 -113.3850 26.8301 0.9965 0.0035
|
|
59 1 -6.7473 -111.2414 26.4420 0.9967 0.0033
|
|
60 1 -6.8081 -109.1297 26.2687 0.9970 0.0030
|
|
61 1 -6.8672 -107.0598 26.2728 0.9974 0.0026
|
|
62 1 -6.9248 -105.0355 26.4156 0.9978 0.0022
|
|
63 1 -6.9806 -103.0617 26.6613 0.9982 0.0018
|
|
64 1 -7.0349 -101.1402 26.9803 0.9986 0.0014
|
|
65 1 -7.0875 -99.2693 27.3495 0.9990 0.0010
|
|
66 1 -7.1384 -97.4503 27.7522 0.9994 0.0006
|
|
67 1 -7.1876 -95.6833 28.1772 0.9997 0.0003
|
|
68 1 -7.2352 -93.9651 28.6176 1.0001 -0.0001
|
|
69 1 -7.2811 -92.2967 29.0696 1.0005 -0.0005
|
|
70 1 -7.3253 -90.6774 29.5316 1.0009 -0.0009
|
|
71 1 -7.3679 -89.1042 30.0034 1.0012 -0.0012
|
|
72 1 -7.4089 -87.5783 30.4857 1.0016 -0.0016
|
|
73 1 -7.4482 -86.0986 30.9797 1.0019 -0.0019
|
|
74 1 -7.4859 -84.6624 31.4873 1.0023 -0.0023
|
|
75 1 -7.5220 -83.2714 32.0100 1.0026 -0.0026
|
|
76 1 -7.5565 -81.9238 32.5500 1.0030 -0.0030
|
|
77 1 -7.5894 -80.6177 33.1091 1.0033 -0.0033
|
|
78 1 -7.6208 -79.3550 33.6892 1.0037 -0.0037
|
|
79 1 -7.6507 -78.1327 34.2923 1.0041 -0.0041
|
|
80 1 -7.6790 -76.9510 34.9201 1.0045 -0.0044
|
|
81 1 -7.7058 -75.8104 35.5743 1.0049 -0.0048
|
|
82 1 -7.7311 -74.7078 36.2562 1.0053 -0.0052
|
|
83 1 -7.7550 -73.6455 36.9673 1.0057 -0.0056
|
|
84 1 -7.7774 -72.6210 37.7088 1.0061 -0.0061
|
|
85 1 -7.7985 -71.6338 38.4815 1.0066 -0.0065
|
|
86 1 -7.8181 -70.6851 39.2864 1.0070 -0.0070
|
|
87 1 -7.8363 -69.7715 40.1240 1.0075 -0.0075
|
|
88 1 -7.8532 -68.8958 40.9949 1.0080 -0.0079
|
|
89 1 -7.8688 -68.0557 41.8993 1.0085 -0.0085
|
|
90 1 -7.8830 -67.2509 42.8375 1.0091 -0.0090
|
|
91 1 -7.8960 -66.4805 43.8096 1.0096 -0.0095
|
|
92 1 -7.9076 -65.7434 44.8155 1.0102 -0.0101
|
|
93 1 -7.9180 -65.0398 45.8554 1.0108 -0.0107
|
|
94 1 -7.9272 -64.3676 46.9290 1.0114 -0.0113
|
|
95 1 -7.9350 -63.7241 48.0364 1.0121 -0.0119
|
|
96 1 -7.9417 -63.1097 49.1774 1.0128 -0.0126
|
|
97 1 -7.9471 -62.5256 50.3522 1.0134 -0.0133
|
|
98 1 -7.9513 -61.9695 51.5606 1.0142 -0.0140
|
|
99 1 -7.9543 -61.4416 52.8029 1.0149 -0.0147
|
|
100 1 -7.9562 -60.9393 54.0792 1.0157 -0.0154
|
|
101 1 -7.9568 -60.4628 55.3899 1.0165 -0.0162
|
|
102 1 -7.9560 -61.0363 53.8835 1.0155 -0.0153
|
|
103 1 -7.9535 -61.6638 52.4248 1.0147 -0.0145
|
|
104 1 -7.9495 -62.3478 51.0131 1.0138 -0.0136
|
|
105 1 -7.9439 -63.0890 49.6473 1.0130 -0.0129
|
|
106 1 -7.9367 -63.8894 48.3262 1.0123 -0.0121
|
|
107 1 -7.9278 -64.7502 47.0488 1.0115 -0.0114
|
|
108 1 -7.9173 -65.6745 45.8138 1.0108 -0.0107
|
|
109 1 -7.9052 -66.6618 44.6199 1.0101 -0.0100
|
|
110 1 -7.8914 -67.7113 43.4658 1.0094 -0.0093
|
|
111 1 -7.8760 -68.8228 42.3504 1.0088 -0.0087
|
|
112 1 -7.8588 -69.9960 41.2723 1.0082 -0.0081
|
|
113 1 -7.8400 -71.2331 40.2302 1.0076 -0.0075
|
|
114 1 -7.8195 -72.5342 39.2231 1.0070 -0.0069
|
|
115 1 -7.7972 -73.8995 38.2496 1.0064 -0.0064
|
|
116 1 -7.7731 -75.3288 37.3086 1.0059 -0.0059
|
|
117 1 -7.7473 -76.8221 36.3989 1.0054 -0.0053
|
|
118 1 -7.7197 -78.3789 35.5195 1.0048 -0.0048
|
|
119 1 -7.6903 -79.9992 34.6693 1.0043 -0.0043
|
|
120 1 -7.6590 -81.6823 33.8473 1.0039 -0.0038
|
|
121 1 -7.6258 -83.4280 33.0525 1.0034 -0.0034
|
|
122 1 -7.5908 -85.2357 32.2838 1.0029 -0.0029
|
|
123 1 -7.5539 -87.1047 31.5405 1.0025 -0.0025
|
|
124 1 -7.5150 -89.0344 30.8215 1.0020 -0.0020
|
|
125 1 -7.4742 -91.0239 30.1261 1.0016 -0.0016
|
|
126 1 -7.4314 -93.0720 29.4534 1.0011 -0.0011
|
|
127 1 -7.3866 -95.1790 28.8026 1.0007 -0.0007
|
|
128 1 -7.3398 -97.3475 28.1729 1.0003 -0.0003
|
|
129 1 -7.2909 -99.5790 27.5636 0.9999 0.0001
|
|
130 1 -7.2400 -101.8711 26.9739 0.9994 0.0006
|
|
131 1 -7.1870 -104.2220 26.4032 0.9990 0.0010
|
|
132 1 -7.1319 -106.6307 25.8508 0.9986 0.0014
|
|
133 1 -7.0747 -109.0968 25.3160 0.9982 0.0018
|
|
134 1 -7.0154 -111.6203 24.7983 0.9977 0.0023
|
|
135 1 -6.9539 -114.2009 24.2971 0.9973 0.0027
|
|
136 1 -6.8903 -116.8388 23.8123 0.9969 0.0031
|
|
137 1 -6.8245 -119.5340 23.3442 0.9964 0.0036
|
|
138 1 -6.7566 -122.2869 22.8945 0.9960 0.0040
|
|
139 1 -6.6864 -125.0977 22.4678 0.9955 0.0045
|
|
140 1 -6.6141 -127.9667 22.0736 0.9951 0.0050
|
|
141 1 -6.5396 -130.8937 21.7300 0.9946 0.0054
|
|
142 1 -6.4629 -133.8778 21.4677 0.9941 0.0059
|
|
143 1 -6.3840 -136.9163 21.3330 0.9936 0.0064
|
|
144 1 -6.3029 -140.0034 21.3878 0.9932 0.0068
|
|
145 1 -6.2196 -143.1274 21.7036 0.9928 0.0072
|
|
146 1 -6.1342 -146.2665 22.3470 0.9926 0.0074
|
|
147 1 -6.0466 -149.3838 23.3590 0.9926 0.0075
|
|
148 1 -5.9569 -152.4232 24.7333 0.9929 0.0072
|
|
149 1 -5.8650 -155.3139 26.4022 0.9935 0.0065
|
|
150 1 -5.7710 -157.9898 28.2374 0.9944 0.0057
|
|
151 1 -5.6749 -160.4203 30.0715 0.9952 0.0048
|
|
152 1 -5.5767 -162.6269 31.7315 0.9958 0.0043
|
|
153 1 -5.4764 -164.6694 33.0760 0.9959 0.0041
|
|
154 1 -5.3741 -166.6163 34.0225 0.9957 0.0043
|
|
155 1 -5.2698 -168.5236 34.5556 0.9953 0.0047
|
|
156 1 -5.1636 -170.4291 34.7176 0.9947 0.0053
|
|
157 1 -5.0553 -172.3544 34.5877 0.9940 0.0060
|
|
158 1 -4.9452 -174.3084 34.2584 0.9932 0.0068
|
|
159 1 -4.8331 -176.2916 33.8180 0.9925 0.0076
|
|
160 1 -4.7192 -178.3086 33.3405 0.9917 0.0083
|
|
161 1 -4.6035 -180.3578 32.8840 0.9910 0.0091
|
|
162 1 -4.4860 -182.4328 32.4927 0.9903 0.0098
|
|
163 1 -4.3667 -184.5262 32.2009 0.9896 0.0105
|
|
164 1 -4.2458 -186.6291 32.0362 0.9890 0.0112
|
|
165 1 -4.1232 -188.7306 32.0216 0.9884 0.0117
|
|
166 1 -3.9989 -190.8181 32.1752 0.9879 0.0122
|
|
167 1 -3.8731 -192.8755 32.5097 0.9875 0.0126
|
|
168 1 -3.7457 -194.8845 33.0307 0.9873 0.0129
|
|
169 1 -3.6169 -196.8230 33.7352 0.9872 0.0130
|
|
170 1 -3.4866 -198.6668 34.6103 0.9873 0.0129
|
|
171 1 -3.3548 -200.3903 35.6329 0.9875 0.0126
|
|
172 1 -3.2218 -201.9697 36.7704 0.9879 0.0122
|
|
173 1 -3.0873 -203.3853 37.9820 0.9884 0.0117
|
|
174 1 -2.9516 -204.6250 39.2214 0.9889 0.0113
|
|
175 1 -2.8147 -205.6856 40.4403 0.9893 0.0108
|
|
176 1 -2.6766 -206.5722 41.5914 0.9895 0.0106
|
|
177 1 -2.5373 -207.2966 42.6326 0.9896 0.0105
|
|
178 1 -2.3970 -207.8740 43.5293 0.9895 0.0106
|
|
179 1 -2.2555 -208.3201 44.2569 0.9893 0.0109
|
|
180 1 -2.1131 -208.6500 44.8022 0.9888 0.0113
|
|
181 1 -1.9697 -208.8740 45.1632 0.9882 0.0119
|
|
182 1 -1.8254 -208.9994 45.3509 0.9876 0.0126
|
|
183 1 -1.6803 -209.0266 45.3912 0.9868 0.0134
|
|
184 1 -1.5343 -208.9490 45.3324 0.9860 0.0142
|
|
185 1 -1.3877 -208.7500 45.2595 0.9852 0.0150
|
|
186 1 -1.2403 -208.4015 45.3044 0.9845 0.0158
|
|
187 1 -1.0924 -207.8644 45.6412 0.9838 0.0165
|
|
188 1 -0.9440 -207.0955 46.4443 0.9832 0.0171
|
|
189 1 -0.7953 -206.0505 47.8709 0.9827 0.0176
|
|
190 1 -0.6463 -204.4931 50.6627 0.9833 0.0170
|
|
191 1 -0.4974 -201.9622 53.8102 0.9853 0.0149
|
|
192 1 -0.3487 -198.8128 55.2093 0.9868 0.0134
|
|
193 1 -0.2006 -195.2816 55.2552 0.9869 0.0133
|
|
194 1 -0.0538 -191.5908 54.2330 0.9858 0.0144
|
|
195 1 0.0909 -187.8075 52.4699 0.9844 0.0158
|
|
196 1 0.2322 -183.7454 50.3349 0.9833 0.0169
|
|
197 1 0.3675 -179.0272 48.1355 0.9826 0.0177
|
|
198 1 0.4928 -173.0856 46.0560 0.9820 0.0184
|
|
199 1 0.6003 -165.1241 44.1327 0.9815 0.0189
|
|
200 1 0.6769 -154.5081 42.2436 0.9812 0.0191
|
|
201 1 0.7055 -142.4505 40.1905 0.9812 0.0192
|
|
|
|
1 2 -0.4915 -6.7354 441.6256 1.2132 -0.1757
|
|
2 2 -0.4805 -2.7658 446.1252 1.2210 -0.1810
|
|
3 2 -0.4481 6.4977 427.7160 1.2080 -0.1722
|
|
4 2 -0.3962 18.4794 391.1043 1.1794 -0.1521
|
|
5 2 -0.3275 30.2713 344.0807 1.1439 -0.1258
|
|
6 2 -0.2445 39.8189 294.5359 1.1089 -0.0982
|
|
7 2 -0.1496 46.2511 248.2391 1.0784 -0.0727
|
|
8 2 -0.0448 49.5992 208.1442 1.0537 -0.0509
|
|
9 2 0.0686 50.3558 174.9403 1.0346 -0.0335
|
|
10 2 0.1891 49.1773 148.0530 1.0204 -0.0200
|
|
11 2 0.3160 46.6941 126.4504 1.0100 -0.0099
|
|
12 2 0.4486 43.4026 109.1028 1.0024 -0.0024
|
|
13 2 0.5863 39.6686 95.1430 0.9970 0.0030
|
|
14 2 0.7288 35.7437 83.8812 0.9931 0.0069
|
|
15 2 0.8756 31.7920 74.7791 0.9903 0.0098
|
|
16 2 1.0267 27.9169 67.4257 0.9883 0.0118
|
|
17 2 1.1816 24.1851 61.5305 0.9869 0.0133
|
|
18 2 1.3404 20.6493 56.9032 0.9860 0.0142
|
|
19 2 1.5028 17.3444 53.2950 0.9854 0.0148
|
|
20 2 1.6686 14.2657 50.4132 0.9851 0.0151
|
|
21 2 1.8378 11.3524 48.0202 0.9850 0.0152
|
|
22 2 2.0103 8.6153 46.1825 0.9851 0.0151
|
|
23 2 2.1858 6.0979 44.8943 0.9854 0.0148
|
|
24 2 2.3644 3.8240 43.9900 0.9860 0.0142
|
|
25 2 2.5459 1.8096 43.2162 0.9866 0.0136
|
|
26 2 2.7301 0.0555 42.2772 0.9872 0.0129
|
|
27 2 2.9170 -1.4842 40.9188 0.9876 0.0126
|
|
28 2 3.1065 -2.9491 39.0498 0.9871 0.0131
|
|
29 2 3.2984 -4.5756 36.8418 0.9855 0.0147
|
|
30 2 3.4925 -6.5696 34.7271 0.9836 0.0167
|
|
31 2 3.6889 -8.9293 33.2555 0.9823 0.0181
|
|
32 2 3.8873 -11.4252 32.8616 0.9822 0.0181
|
|
33 2 4.0875 -13.7385 33.6696 0.9834 0.0169
|
|
34 2 4.2895 -15.6277 35.4533 0.9852 0.0150
|
|
35 2 4.4931 -17.0385 37.7683 0.9868 0.0134
|
|
36 2 4.6981 -18.0598 40.1623 0.9878 0.0124
|
|
37 2 4.9045 -18.7830 42.3391 0.9883 0.0118
|
|
38 2 5.1119 -19.3623 44.2065 0.9886 0.0116
|
|
39 2 5.3204 -19.8258 45.8248 0.9887 0.0114
|
|
40 2 5.5296 -20.1584 47.3205 0.9889 0.0112
|
|
41 2 5.7395 -20.3477 48.8166 0.9891 0.0110
|
|
42 2 5.9499 -20.3801 50.4011 0.9893 0.0108
|
|
43 2 6.1606 -20.2399 52.1260 0.9896 0.0105
|
|
44 2 6.3714 -19.9086 54.0212 0.9899 0.0102
|
|
45 2 6.5822 -19.3641 56.1091 0.9902 0.0099
|
|
46 2 6.7928 -18.5804 58.4093 0.9906 0.0095
|
|
47 2 7.0031 -17.5294 60.9155 0.9911 0.0089
|
|
48 2 7.2127 -16.1901 63.5127 0.9917 0.0084
|
|
49 2 7.4217 -14.5778 65.8441 0.9922 0.0079
|
|
50 2 7.6298 -12.7975 67.3218 0.9924 0.0077
|
|
51 2 7.8368 -11.1079 67.5434 0.9920 0.0080
|
|
52 2 8.0426 -9.8297 66.8111 0.9914 0.0086
|
|
53 2 8.2470 -8.9778 65.9415 0.9911 0.0090
|
|
54 2 8.4498 -8.4006 65.4821 0.9902 0.0099
|
|
55 2 8.6509 -8.1653 65.4553 0.9885 0.0116
|
|
56 2 8.8501 -8.3358 65.8423 0.9868 0.0134
|
|
57 2 9.0473 -8.8129 66.9433 0.9858 0.0144
|
|
58 2 9.2422 -9.4234 69.2555 0.9854 0.0148
|
|
59 2 9.4348 -10.0140 73.2280 0.9857 0.0145
|
|
60 2 9.6249 -10.4625 79.1592 0.9866 0.0136
|
|
61 2 9.8124 -10.6453 87.1987 0.9883 0.0119
|
|
62 2 9.9970 -10.4047 97.3451 0.9911 0.0090
|
|
63 2 10.1787 -9.5315 109.4141 0.9953 0.0047
|
|
64 2 10.3573 -7.7733 123.0118 1.0012 -0.0012
|
|
65 2 10.5327 -4.8937 137.5619 1.0087 -0.0086
|
|
66 2 10.7047 -0.7775 152.3998 1.0168 -0.0165
|
|
67 2 10.8733 4.4869 166.9124 1.0243 -0.0237
|
|
68 2 11.0383 10.6221 180.6756 1.0302 -0.0294
|
|
69 2 11.1995 17.2679 193.5411 1.0344 -0.0333
|
|
70 2 11.3569 24.0996 205.6400 1.0373 -0.0360
|
|
71 2 11.5104 30.9019 217.3066 1.0396 -0.0381
|
|
72 2 11.6598 37.5944 228.9542 1.0422 -0.0405
|
|
73 2 11.8051 44.2139 240.9480 1.0457 -0.0437
|
|
74 2 11.9461 50.8579 253.5138 1.0503 -0.0479
|
|
75 2 12.0827 57.6265 266.7014 1.0560 -0.0531
|
|
76 2 12.2150 64.5953 280.3993 1.0629 -0.0592
|
|
77 2 12.3427 71.8077 294.3814 1.0706 -0.0660
|
|
78 2 12.4658 79.2759 308.3661 1.0792 -0.0734
|
|
79 2 12.5842 86.9888 322.0718 1.0884 -0.0812
|
|
80 2 12.6978 94.9132 335.2574 1.0981 -0.0894
|
|
81 2 12.8066 102.9981 347.7480 1.1082 -0.0976
|
|
82 2 12.9105 111.1786 359.4454 1.1183 -0.1058
|
|
83 2 13.0095 119.3767 370.3276 1.1284 -0.1138
|
|
84 2 13.1034 127.5081 380.4405 1.1381 -0.1214
|
|
85 2 13.1922 135.4843 389.8855 1.1475 -0.1285
|
|
86 2 13.2759 143.2173 398.8053 1.1563 -0.1351
|
|
87 2 13.3545 150.6246 407.3698 1.1645 -0.1412
|
|
88 2 13.4278 157.6299 415.7634 1.1721 -0.1468
|
|
89 2 13.4958 164.1673 424.1741 1.1793 -0.1520
|
|
90 2 13.5586 170.1801 432.7854 1.1862 -0.1570
|
|
91 2 13.6160 175.6207 441.7697 1.1930 -0.1618
|
|
92 2 13.6680 180.4480 451.2841 1.1999 -0.1666
|
|
93 2 13.7146 184.6249 461.4674 1.2073 -0.1717
|
|
94 2 13.7558 188.1162 472.4383 1.2152 -0.1771
|
|
95 2 13.7916 190.8854 484.2936 1.2241 -0.1831
|
|
96 2 13.8218 192.8903 497.1073 1.2341 -0.1897
|
|
97 2 13.8466 194.0822 510.9288 1.2453 -0.1970
|
|
98 2 13.8659 194.4046 525.7809 1.2580 -0.2051
|
|
99 2 13.8797 193.7908 541.6564 1.2723 -0.2140
|
|
100 2 13.8880 192.1642 558.5146 1.2883 -0.2238
|
|
101 2 13.8908 233.6060 675.8554 1.3671 -0.2685
|
|
102 2 13.8888 228.4344 660.9785 1.3531 -0.2610
|
|
103 2 13.8831 231.2971 642.4114 1.3332 -0.2499
|
|
104 2 13.8735 233.4623 624.3570 1.3147 -0.2394
|
|
105 2 13.8600 234.9907 606.8715 1.2976 -0.2293
|
|
106 2 13.8427 235.9396 589.9957 1.2818 -0.2199
|
|
107 2 13.8216 236.3630 573.7573 1.2674 -0.2110
|
|
108 2 13.7966 236.3114 558.1730 1.2542 -0.2027
|
|
109 2 13.7679 235.8311 543.2502 1.2421 -0.1949
|
|
110 2 13.7353 234.9653 528.9888 1.2311 -0.1877
|
|
111 2 13.6990 233.7534 515.3829 1.2210 -0.1810
|
|
112 2 13.6590 232.2316 502.4215 1.2118 -0.1748
|
|
113 2 13.6151 230.4324 490.0903 1.2035 -0.1691
|
|
114 2 13.5676 228.3859 478.3723 1.1959 -0.1638
|
|
115 2 13.5164 226.1192 467.2485 1.1890 -0.1589
|
|
116 2 13.4615 223.6572 456.6988 1.1827 -0.1545
|
|
117 2 13.4030 221.0224 446.7028 1.1770 -0.1504
|
|
118 2 13.3408 218.2352 437.2400 1.1718 -0.1466
|
|
119 2 13.2751 215.3141 428.2906 1.1671 -0.1432
|
|
120 2 13.2058 212.2761 419.8361 1.1629 -0.1401
|
|
121 2 13.1330 209.1362 411.8597 1.1591 -0.1372
|
|
122 2 13.0567 205.9081 404.3472 1.1556 -0.1346
|
|
123 2 12.9770 202.6043 397.2878 1.1524 -0.1323
|
|
124 2 12.8939 199.2358 390.6751 1.1496 -0.1301
|
|
125 2 12.8074 195.8122 384.5085 1.1471 -0.1282
|
|
126 2 12.7176 192.3422 378.7942 1.1448 -0.1265
|
|
127 2 12.6245 188.8324 373.5474 1.1427 -0.1249
|
|
128 2 12.5282 185.2878 368.7932 1.1409 -0.1235
|
|
129 2 12.4288 181.7113 364.5676 1.1393 -0.1223
|
|
130 2 12.3262 178.1038 360.9177 1.1380 -0.1212
|
|
131 2 12.2205 174.4626 357.9004 1.1369 -0.1204
|
|
132 2 12.1119 170.7804 355.5776 1.1360 -0.1197
|
|
133 2 12.0002 167.0428 354.0109 1.1355 -0.1193
|
|
134 2 11.8857 163.2271 353.2510 1.1353 -0.1192
|
|
135 2 11.7683 159.2985 353.3265 1.1356 -0.1194
|
|
136 2 11.6482 155.2089 354.2308 1.1365 -0.1201
|
|
137 2 11.5253 150.8957 355.9119 1.1380 -0.1213
|
|
138 2 11.3998 146.2867 358.2663 1.1403 -0.1230
|
|
139 2 11.2717 141.3109 361.1440 1.1430 -0.1251
|
|
140 2 11.1410 135.9177 364.3682 1.1460 -0.1274
|
|
141 2 11.0080 130.0947 367.7734 1.1488 -0.1295
|
|
142 2 10.8725 123.8751 371.2603 1.1509 -0.1311
|
|
143 2 10.7347 117.3232 374.8508 1.1521 -0.1321
|
|
144 2 10.5947 110.4998 378.7071 1.1525 -0.1323
|
|
145 2 10.4525 103.4115 383.0670 1.1525 -0.1324
|
|
146 2 10.3083 95.9515 388.0770 1.1530 -0.1327
|
|
147 2 10.1620 87.8608 393.5777 1.1546 -0.1339
|
|
148 2 10.0138 78.8041 398.9798 1.1573 -0.1359
|
|
149 2 9.8637 68.6240 403.3591 1.1594 -0.1375
|
|
150 2 9.7118 57.5224 405.7636 1.1594 -0.1375
|
|
151 2 9.5582 45.8992 405.5608 1.1570 -0.1357
|
|
152 2 9.4030 34.1044 402.6089 1.1527 -0.1325
|
|
153 2 9.2462 22.3575 397.1774 1.1473 -0.1284
|
|
154 2 9.0880 10.7792 389.7216 1.1409 -0.1235
|
|
155 2 8.9283 -0.5558 380.6806 1.1336 -0.1179
|
|
156 2 8.7673 -11.5824 370.3941 1.1253 -0.1114
|
|
157 2 8.6051 -22.2285 359.1210 1.1158 -0.1038
|
|
158 2 8.4417 -32.4166 347.0904 1.1053 -0.0953
|
|
159 2 8.2772 -42.0823 334.5222 1.0941 -0.0860
|
|
160 2 8.1117 -51.2089 321.5919 1.0828 -0.0764
|
|
161 2 7.9453 -59.8531 308.3501 1.0721 -0.0673
|
|
162 2 7.7780 -68.1465 294.6487 1.0628 -0.0591
|
|
163 2 7.6099 -76.2412 280.1339 1.0550 -0.0522
|
|
164 2 7.4411 -84.2396 264.3382 1.0485 -0.0463
|
|
165 2 7.2717 -92.1666 246.8336 1.0427 -0.0409
|
|
166 2 7.1017 -99.9286 227.3848 1.0366 -0.0353
|
|
167 2 6.9312 -107.2471 206.0570 1.0287 -0.0279
|
|
168 2 6.7602 -113.6612 183.2640 1.0184 -0.0180
|
|
169 2 6.5889 -118.6803 159.7508 1.0061 -0.0061
|
|
170 2 6.4173 -122.0250 136.4983 0.9938 0.0062
|
|
171 2 6.2455 -123.7609 114.5619 0.9834 0.0169
|
|
172 2 6.0735 -124.2240 94.8828 0.9756 0.0250
|
|
173 2 5.9013 -123.8446 78.1261 0.9705 0.0304
|
|
174 2 5.7292 -123.0114 64.5908 0.9674 0.0337
|
|
175 2 5.5570 -122.0207 54.2010 0.9658 0.0354
|
|
176 2 5.3849 -121.0807 46.5580 0.9652 0.0360
|
|
177 2 5.2130 -120.3328 41.0231 0.9653 0.0360
|
|
178 2 5.0412 -119.8652 36.8191 0.9657 0.0356
|
|
179 2 4.8696 -119.6969 33.1613 0.9660 0.0352
|
|
180 2 4.6984 -119.7229 29.4248 0.9658 0.0354
|
|
181 2 4.5275 -119.6790 25.3130 0.9644 0.0369
|
|
182 2 4.3570 -119.2643 20.9393 0.9623 0.0392
|
|
183 2 4.1870 -118.3701 16.7484 0.9605 0.0412
|
|
184 2 4.0175 -117.1228 13.3026 0.9595 0.0422
|
|
185 2 3.8486 -115.7266 11.0566 0.9593 0.0424
|
|
186 2 3.6804 -114.3467 10.2484 0.9597 0.0420
|
|
187 2 3.5130 -113.0969 10.9269 0.9604 0.0412
|
|
188 2 3.3464 -112.0744 13.0276 0.9616 0.0400
|
|
189 2 3.1808 -111.4087 16.3935 0.9633 0.0380
|
|
190 2 3.0163 -111.3512 20.7189 0.9660 0.0352
|
|
191 2 2.8532 -112.1083 25.4924 0.9696 0.0314
|
|
192 2 2.6917 -113.7495 30.0367 0.9733 0.0274
|
|
193 2 2.5322 -116.2842 33.6671 0.9761 0.0244
|
|
194 2 2.3752 -119.4667 35.9155 0.9773 0.0232
|
|
195 2 2.2217 -123.0525 36.6776 0.9773 0.0233
|
|
196 2 2.0731 -127.0120 36.1965 0.9766 0.0240
|
|
197 2 1.9316 -131.5820 34.9040 0.9756 0.0250
|
|
198 2 1.8017 -137.2840 33.2188 0.9745 0.0262
|
|
199 2 1.6908 -144.9265 31.4410 0.9731 0.0276
|
|
200 2 1.6122 -155.1750 29.8138 0.9717 0.0292
|
|
201 2 1.5829 -166.8434 28.6181 0.9702 0.0307
|
|
|
|
1 3 10.6149 -63.5652 440.7988 1.1840 -0.1554
|
|
2 3 10.6157 -59.6432 450.5790 1.1967 -0.1644
|
|
3 3 10.6184 -55.2085 460.4549 1.2102 -0.1737
|
|
4 3 10.6228 -50.2272 470.2952 1.2241 -0.1831
|
|
5 3 10.6289 -44.6780 479.9562 1.2380 -0.1923
|
|
6 3 10.6367 -38.5579 489.2854 1.2515 -0.2009
|
|
7 3 10.6463 -31.8876 498.1266 1.2638 -0.2087
|
|
8 3 10.6576 -24.7157 506.3263 1.2742 -0.2152
|
|
9 3 10.6706 -17.1196 513.7411 1.2821 -0.2200
|
|
10 3 10.6853 -9.2035 520.2454 1.2870 -0.2230
|
|
11 3 10.7016 -1.0913 525.7403 1.2887 -0.2240
|
|
12 3 10.7196 7.0859 530.1610 1.2875 -0.2233
|
|
13 3 10.7392 15.2031 533.4832 1.2836 -0.2210
|
|
14 3 10.7605 23.1541 535.7272 1.2779 -0.2175
|
|
15 3 10.7833 30.8615 536.9595 1.2712 -0.2133
|
|
16 3 10.8076 38.2811 537.2905 1.2641 -0.2089
|
|
17 3 10.8335 45.4015 536.8688 1.2573 -0.2046
|
|
18 3 10.8608 52.2398 535.8723 1.2512 -0.2007
|
|
19 3 10.8897 58.8340 534.4959 1.2459 -0.1974
|
|
20 3 10.9199 65.2343 532.9386 1.2416 -0.1946
|
|
21 3 10.9515 71.4949 531.3886 1.2381 -0.1923
|
|
22 3 10.9845 77.6732 530.0104 1.2354 -0.1905
|
|
23 3 11.0188 83.8235 528.9335 1.2332 -0.1891
|
|
24 3 11.0543 89.9917 528.2447 1.2313 -0.1879
|
|
25 3 11.0911 96.2148 527.9833 1.2296 -0.1867
|
|
26 3 11.1291 102.5206 528.1417 1.2279 -0.1856
|
|
27 3 11.1682 108.9272 528.6688 1.2261 -0.1844
|
|
28 3 11.2084 115.4442 529.4781 1.2240 -0.1830
|
|
29 3 11.2497 122.0723 530.4581 1.2215 -0.1814
|
|
30 3 11.2920 128.8041 531.4854 1.2188 -0.1795
|
|
31 3 11.3352 135.6241 532.4383 1.2157 -0.1774
|
|
32 3 11.3793 142.5101 533.2081 1.2122 -0.1750
|
|
33 3 11.4243 149.4383 533.7061 1.2085 -0.1725
|
|
34 3 11.4701 156.3914 533.8636 1.2046 -0.1699
|
|
35 3 11.5167 163.3641 533.6257 1.2008 -0.1672
|
|
36 3 11.5640 170.3632 532.9405 1.1971 -0.1646
|
|
37 3 11.6119 177.4047 531.7495 1.1935 -0.1622
|
|
38 3 11.6604 184.4752 529.9813 1.1901 -0.1598
|
|
39 3 11.7095 191.5722 527.5523 1.1869 -0.1575
|
|
40 3 11.7590 198.6934 524.3709 1.1837 -0.1552
|
|
41 3 11.8090 205.8292 520.3437 1.1807 -0.1530
|
|
42 3 11.8594 212.9630 515.3813 1.1776 -0.1508
|
|
43 3 11.9102 220.0706 509.4042 1.1744 -0.1485
|
|
44 3 11.9612 227.1175 502.3487 1.1710 -0.1461
|
|
45 3 12.0124 234.0569 494.1749 1.1672 -0.1432
|
|
46 3 12.0639 240.8262 484.8756 1.1627 -0.1399
|
|
47 3 12.1154 247.3456 474.4858 1.1574 -0.1360
|
|
48 3 12.1670 253.5185 463.0906 1.1510 -0.1312
|
|
49 3 12.2187 259.2334 450.8299 1.1435 -0.1255
|
|
50 3 12.2703 264.3743 437.8984 1.1348 -0.1188
|
|
51 3 12.3218 268.8309 424.5404 1.1253 -0.1113
|
|
52 3 12.3732 272.5168 411.0388 1.1152 -0.1033
|
|
53 3 12.4244 275.3856 397.6991 1.1052 -0.0952
|
|
54 3 12.4753 277.4389 384.8315 1.0958 -0.0874
|
|
55 3 12.5260 278.7289 372.7311 1.0875 -0.0804
|
|
56 3 12.5763 279.3485 361.6597 1.0806 -0.0746
|
|
57 3 12.6263 279.4145 351.8318 1.0753 -0.0701
|
|
58 3 12.6758 279.0523 343.4044 1.0716 -0.0668
|
|
59 3 12.7249 278.3827 336.4734 1.0692 -0.0648
|
|
60 3 12.7734 277.5113 331.0748 1.0681 -0.0637
|
|
61 3 12.8214 276.5267 327.1913 1.0679 -0.0636
|
|
62 3 12.8687 275.4999 324.7618 1.0686 -0.0642
|
|
63 3 12.9154 274.4845 323.6929 1.0699 -0.0654
|
|
64 3 12.9614 273.5205 323.8716 1.0718 -0.0670
|
|
65 3 13.0067 272.6370 325.1768 1.0741 -0.0690
|
|
66 3 13.0512 271.8534 327.4890 1.0767 -0.0713
|
|
67 3 13.0949 271.1821 330.6982 1.0796 -0.0738
|
|
68 3 13.1377 270.6312 334.7092 1.0828 -0.0765
|
|
69 3 13.1796 270.2035 339.4441 1.0862 -0.0794
|
|
70 3 13.2207 269.8990 344.8421 1.0898 -0.0824
|
|
71 3 13.2607 269.7159 350.8576 1.0936 -0.0856
|
|
72 3 13.2998 269.6492 357.4565 1.0977 -0.0890
|
|
73 3 13.3378 269.6929 364.6122 1.1019 -0.0925
|
|
74 3 13.3748 269.8400 372.3013 1.1063 -0.0961
|
|
75 3 13.4107 270.0808 380.5006 1.1110 -0.0999
|
|
76 3 13.4455 270.4053 389.1856 1.1159 -0.1039
|
|
77 3 13.4792 270.8022 398.3305 1.1211 -0.1080
|
|
78 3 13.5116 271.2580 407.9089 1.1266 -0.1124
|
|
79 3 13.5429 271.7590 417.8967 1.1325 -0.1170
|
|
80 3 13.5730 272.2895 428.2732 1.1387 -0.1218
|
|
81 3 13.6018 272.8324 439.0235 1.1454 -0.1269
|
|
82 3 13.6293 273.3706 450.1389 1.1524 -0.1323
|
|
83 3 13.6556 273.8844 461.6167 1.1599 -0.1379
|
|
84 3 13.6805 274.3544 473.4588 1.1680 -0.1438
|
|
85 3 13.7042 274.7601 485.6702 1.1765 -0.1500
|
|
86 3 13.7265 275.0798 498.2564 1.1856 -0.1565
|
|
87 3 13.7474 275.2925 511.2218 1.1952 -0.1633
|
|
88 3 13.7669 275.3754 524.5675 1.2055 -0.1704
|
|
89 3 13.7851 275.3067 538.2904 1.2163 -0.1778
|
|
90 3 13.8019 275.0644 552.3826 1.2277 -0.1855
|
|
91 3 13.8172 274.6272 566.8312 1.2398 -0.1934
|
|
92 3 13.8311 273.9746 581.6187 1.2526 -0.2016
|
|
93 3 13.8436 273.0868 596.7237 1.2660 -0.2101
|
|
94 3 13.8546 271.9460 612.1212 1.2802 -0.2189
|
|
95 3 13.8642 270.5357 627.7843 1.2950 -0.2278
|
|
96 3 13.8723 268.8410 643.6838 1.3106 -0.2370
|
|
97 3 13.8789 266.8483 659.7896 1.3270 -0.2464
|
|
98 3 13.8841 264.5463 676.0707 1.3441 -0.2560
|
|
99 3 13.8878 261.9247 692.4953 1.3619 -0.2657
|
|
100 3 13.8900 258.9751 709.0312 1.3805 -0.2756
|
|
101 3 13.8908 233.6060 675.8554 1.3671 -0.2685
|
|
102 3 13.8889 241.2268 654.2458 1.3422 -0.2549
|
|
103 3 13.8833 243.7637 634.9305 1.3221 -0.2436
|
|
104 3 13.8740 245.6731 615.9225 1.3033 -0.2327
|
|
105 3 13.8610 247.0129 597.2828 1.2858 -0.2223
|
|
106 3 13.8443 247.8387 579.0576 1.2694 -0.2122
|
|
107 3 13.8239 248.2037 561.2805 1.2542 -0.2027
|
|
108 3 13.7998 248.1570 543.9744 1.2400 -0.1936
|
|
109 3 13.7721 247.7469 527.1535 1.2269 -0.1849
|
|
110 3 13.7408 247.0180 510.8246 1.2147 -0.1767
|
|
111 3 13.7060 246.0120 494.9887 1.2033 -0.1689
|
|
112 3 13.6676 244.7676 479.6420 1.1927 -0.1616
|
|
113 3 13.6257 243.3203 464.7769 1.1829 -0.1546
|
|
114 3 13.5804 241.7035 450.3833 1.1736 -0.1480
|
|
115 3 13.5317 239.9483 436.4490 1.1650 -0.1417
|
|
116 3 13.4797 238.0835 422.9603 1.1570 -0.1357
|
|
117 3 13.4244 236.1357 409.9027 1.1494 -0.1300
|
|
118 3 13.3658 234.1299 397.2616 1.1423 -0.1246
|
|
119 3 13.3041 232.0891 385.0222 1.1355 -0.1194
|
|
120 3 13.2393 230.0348 373.1702 1.1292 -0.1144
|
|
121 3 13.1714 227.9869 361.6923 1.1231 -0.1096
|
|
122 3 13.1006 225.9639 350.5763 1.1174 -0.1051
|
|
123 3 13.0270 223.9830 339.8118 1.1119 -0.1007
|
|
124 3 12.9505 222.0601 329.3903 1.1067 -0.0964
|
|
125 3 12.8713 220.2098 319.3062 1.1016 -0.0923
|
|
126 3 12.7895 218.4457 309.5571 1.0968 -0.0882
|
|
127 3 12.7051 216.7801 300.1446 1.0921 -0.0843
|
|
128 3 12.6183 215.2234 291.0745 1.0876 -0.0805
|
|
129 3 12.5291 213.7852 282.3577 1.0832 -0.0768
|
|
130 3 12.4376 212.4741 274.0100 1.0790 -0.0732
|
|
131 3 12.3439 211.2970 266.0517 1.0748 -0.0696
|
|
132 3 12.2482 210.2587 258.5065 1.0708 -0.0662
|
|
133 3 12.1505 209.3616 251.3997 1.0670 -0.0628
|
|
134 3 12.0509 208.6053 244.7551 1.0633 -0.0595
|
|
135 3 11.9495 207.9856 238.5912 1.0597 -0.0563
|
|
136 3 11.8465 207.4941 232.9171 1.0564 -0.0534
|
|
137 3 11.7419 207.1175 227.7285 1.0533 -0.0506
|
|
138 3 11.6358 206.8377 223.0041 1.0504 -0.0480
|
|
139 3 11.5284 206.6323 218.7058 1.0479 -0.0457
|
|
140 3 11.4198 206.4776 214.7816 1.0456 -0.0436
|
|
141 3 11.3100 206.3530 211.1760 1.0436 -0.0417
|
|
142 3 11.1993 206.2459 207.8490 1.0416 -0.0400
|
|
143 3 11.0876 206.1559 204.8024 1.0397 -0.0382
|
|
144 3 10.9751 206.0939 202.1105 1.0377 -0.0363
|
|
145 3 10.8620 206.0729 199.9389 1.0356 -0.0343
|
|
146 3 10.7483 206.0898 198.5345 1.0334 -0.0323
|
|
147 3 10.6342 206.0956 198.1705 1.0315 -0.0305
|
|
148 3 10.5197 205.9607 199.0466 1.0303 -0.0295
|
|
149 3 10.4050 205.4556 201.1723 1.0304 -0.0295
|
|
150 3 10.2902 204.2974 204.2761 1.0316 -0.0306
|
|
151 3 10.1754 202.2755 207.7931 1.0334 -0.0323
|
|
152 3 10.0608 199.3525 210.9633 1.0349 -0.0337
|
|
153 3 9.9464 195.6620 213.0271 1.0355 -0.0343
|
|
154 3 9.8323 191.4702 213.4456 1.0349 -0.0337
|
|
155 3 9.7187 187.0952 212.0425 1.0331 -0.0320
|
|
156 3 9.6057 182.7922 209.0000 1.0306 -0.0297
|
|
157 3 9.4933 178.7089 204.7304 1.0279 -0.0272
|
|
158 3 9.3818 174.9101 199.7090 1.0253 -0.0246
|
|
159 3 9.2711 171.4133 194.3518 1.0228 -0.0223
|
|
160 3 9.1615 168.2078 188.9706 1.0206 -0.0201
|
|
161 3 9.0529 165.2733 183.7855 1.0186 -0.0183
|
|
162 3 8.9456 162.5847 178.9567 1.0169 -0.0167
|
|
163 3 8.8396 160.1100 174.6048 1.0156 -0.0153
|
|
164 3 8.7350 157.8078 170.8106 1.0146 -0.0144
|
|
165 3 8.6319 155.6234 167.6005 1.0140 -0.0138
|
|
166 3 8.5305 153.4921 164.9354 1.0138 -0.0136
|
|
167 3 8.4307 151.3569 162.7174 1.0140 -0.0138
|
|
168 3 8.3328 149.1958 160.8163 1.0143 -0.0141
|
|
169 3 8.2367 147.0293 159.1048 1.0145 -0.0143
|
|
170 3 8.1427 144.8979 157.4857 1.0146 -0.0144
|
|
171 3 8.0507 142.8364 155.9003 1.0147 -0.0145
|
|
172 3 7.9608 140.8644 154.3209 1.0147 -0.0145
|
|
173 3 7.8732 138.9881 152.7336 1.0148 -0.0146
|
|
174 3 7.7880 137.2057 151.1245 1.0150 -0.0148
|
|
175 3 7.7051 135.5120 149.4717 1.0152 -0.0150
|
|
176 3 7.6247 133.9006 147.7450 1.0155 -0.0152
|
|
177 3 7.5468 132.3659 145.9102 1.0158 -0.0155
|
|
178 3 7.4716 130.9037 143.9354 1.0160 -0.0158
|
|
179 3 7.3990 129.5117 141.7958 1.0162 -0.0160
|
|
180 3 7.3292 128.1891 139.4775 1.0164 -0.0161
|
|
181 3 7.2623 126.9370 136.9787 1.0164 -0.0161
|
|
182 3 7.1982 125.7571 134.3103 1.0162 -0.0160
|
|
183 3 7.1370 124.6516 131.4938 1.0159 -0.0157
|
|
184 3 7.0788 123.6222 128.5602 1.0154 -0.0151
|
|
185 3 7.0237 122.6691 125.5467 1.0147 -0.0144
|
|
186 3 6.9717 121.7908 122.4945 1.0137 -0.0136
|
|
187 3 6.9228 120.9832 119.4458 1.0126 -0.0125
|
|
188 3 6.8770 120.2392 116.4404 1.0114 -0.0113
|
|
189 3 6.8345 119.5480 113.5134 1.0101 -0.0100
|
|
190 3 6.7953 118.8887 110.6916 1.0087 -0.0086
|
|
191 3 6.7594 118.2513 107.9919 1.0073 -0.0072
|
|
192 3 6.7267 117.6322 105.4196 1.0059 -0.0059
|
|
193 3 6.6975 117.0061 102.9682 1.0045 -0.0045
|
|
194 3 6.6716 116.3519 100.6210 1.0033 -0.0033
|
|
195 3 6.6491 115.6487 98.3538 1.0021 -0.0021
|
|
196 3 6.6301 114.8821 96.1382 1.0010 -0.0010
|
|
197 3 6.6145 114.0430 93.9460 1.0000 0.0000
|
|
198 3 6.6023 113.1241 91.7528 0.9990 0.0010
|
|
199 3 6.5936 112.1229 89.5411 0.9981 0.0019
|
|
200 3 6.5884 111.0416 87.3018 0.9971 0.0029
|
|
201 3 6.5866 109.8859 85.0346 0.9961 0.0039
|
|
|
|
1 4 10.6149 -63.5652 440.7988 1.1840 -0.1554
|
|
2 4 10.6157 -59.6432 450.5790 1.1967 -0.1644
|
|
3 4 10.6184 -55.2085 460.4549 1.2102 -0.1737
|
|
4 4 10.6228 -50.2272 470.2952 1.2241 -0.1831
|
|
5 4 10.6289 -44.6780 479.9562 1.2380 -0.1923
|
|
6 4 10.6367 -38.5579 489.2854 1.2515 -0.2009
|
|
7 4 10.6463 -31.8876 498.1266 1.2638 -0.2087
|
|
8 4 10.6576 -24.7157 506.3263 1.2742 -0.2152
|
|
9 4 10.6706 -17.1196 513.7411 1.2821 -0.2200
|
|
10 4 10.6853 -9.2035 520.2454 1.2870 -0.2230
|
|
11 4 10.7016 -1.0913 525.7403 1.2887 -0.2240
|
|
12 4 10.7196 7.0859 530.1610 1.2875 -0.2233
|
|
13 4 10.7392 15.2031 533.4832 1.2836 -0.2210
|
|
14 4 10.7605 23.1541 535.7272 1.2779 -0.2175
|
|
15 4 10.7833 30.8615 536.9595 1.2712 -0.2133
|
|
16 4 10.8076 38.2811 537.2905 1.2641 -0.2089
|
|
17 4 10.8335 45.4015 536.8688 1.2573 -0.2046
|
|
18 4 10.8608 52.2398 535.8723 1.2512 -0.2007
|
|
19 4 10.8897 58.8340 534.4959 1.2459 -0.1974
|
|
20 4 10.9199 65.2343 532.9386 1.2416 -0.1946
|
|
21 4 10.9515 71.4949 531.3886 1.2381 -0.1923
|
|
22 4 10.9845 77.6732 530.0104 1.2354 -0.1905
|
|
23 4 11.0188 83.8235 528.9335 1.2332 -0.1891
|
|
24 4 11.0543 89.9917 528.2447 1.2313 -0.1879
|
|
25 4 11.0911 96.2148 527.9833 1.2296 -0.1867
|
|
26 4 11.1291 102.5206 528.1417 1.2279 -0.1856
|
|
27 4 11.1682 108.9272 528.6688 1.2261 -0.1844
|
|
28 4 11.2084 115.4442 529.4781 1.2240 -0.1830
|
|
29 4 11.2497 122.0723 530.4581 1.2215 -0.1814
|
|
30 4 11.2920 128.8041 531.4854 1.2188 -0.1795
|
|
31 4 11.3352 135.6241 532.4383 1.2157 -0.1774
|
|
32 4 11.3793 142.5101 533.2081 1.2122 -0.1750
|
|
33 4 11.4243 149.4383 533.7061 1.2085 -0.1725
|
|
34 4 11.4701 156.3914 533.8636 1.2046 -0.1699
|
|
35 4 11.5167 163.3641 533.6257 1.2008 -0.1672
|
|
36 4 11.5640 170.3632 532.9405 1.1971 -0.1646
|
|
37 4 11.6119 177.4047 531.7495 1.1935 -0.1622
|
|
38 4 11.6604 184.4752 529.9813 1.1901 -0.1598
|
|
39 4 11.7095 191.5722 527.5523 1.1869 -0.1575
|
|
40 4 11.7590 198.6934 524.3709 1.1837 -0.1552
|
|
41 4 11.8090 205.8292 520.3437 1.1807 -0.1530
|
|
42 4 11.8594 212.9630 515.3813 1.1776 -0.1508
|
|
43 4 11.9102 220.0706 509.4042 1.1744 -0.1485
|
|
44 4 11.9612 227.1175 502.3487 1.1710 -0.1461
|
|
45 4 12.0124 234.0569 494.1749 1.1672 -0.1432
|
|
46 4 12.0639 240.8262 484.8756 1.1627 -0.1399
|
|
47 4 12.1154 247.3456 474.4858 1.1574 -0.1360
|
|
48 4 12.1670 253.5185 463.0906 1.1510 -0.1312
|
|
49 4 12.2187 259.2334 450.8299 1.1435 -0.1255
|
|
50 4 12.2703 264.3743 437.8984 1.1348 -0.1188
|
|
51 4 12.3218 268.8309 424.5404 1.1253 -0.1113
|
|
52 4 12.3732 272.5168 411.0388 1.1152 -0.1033
|
|
53 4 12.4244 275.3856 397.6991 1.1052 -0.0952
|
|
54 4 12.4753 277.4389 384.8315 1.0958 -0.0874
|
|
55 4 12.5260 278.7289 372.7311 1.0875 -0.0804
|
|
56 4 12.5763 279.3485 361.6597 1.0806 -0.0746
|
|
57 4 12.6263 279.4145 351.8318 1.0753 -0.0701
|
|
58 4 12.6758 279.0523 343.4044 1.0716 -0.0668
|
|
59 4 12.7249 278.3827 336.4734 1.0692 -0.0648
|
|
60 4 12.7734 277.5113 331.0748 1.0681 -0.0637
|
|
61 4 12.8214 276.5267 327.1913 1.0679 -0.0636
|
|
62 4 12.8687 275.4999 324.7618 1.0686 -0.0642
|
|
63 4 12.9154 274.4845 323.6929 1.0699 -0.0654
|
|
64 4 12.9614 273.5205 323.8716 1.0718 -0.0670
|
|
65 4 13.0067 272.6370 325.1768 1.0741 -0.0690
|
|
66 4 13.0512 271.8534 327.4890 1.0767 -0.0713
|
|
67 4 13.0949 271.1821 330.6982 1.0796 -0.0738
|
|
68 4 13.1377 270.6312 334.7092 1.0828 -0.0765
|
|
69 4 13.1796 270.2035 339.4441 1.0862 -0.0794
|
|
70 4 13.2207 269.8990 344.8421 1.0898 -0.0824
|
|
71 4 13.2607 269.7159 350.8576 1.0936 -0.0856
|
|
72 4 13.2998 269.6492 357.4565 1.0977 -0.0890
|
|
73 4 13.3378 269.6929 364.6122 1.1019 -0.0925
|
|
74 4 13.3748 269.8400 372.3013 1.1063 -0.0961
|
|
75 4 13.4107 270.0808 380.5006 1.1110 -0.0999
|
|
76 4 13.4455 270.4053 389.1856 1.1159 -0.1039
|
|
77 4 13.4792 270.8022 398.3305 1.1211 -0.1080
|
|
78 4 13.5116 271.2580 407.9089 1.1266 -0.1124
|
|
79 4 13.5429 271.7590 417.8967 1.1325 -0.1170
|
|
80 4 13.5730 272.2895 428.2732 1.1387 -0.1218
|
|
81 4 13.6018 272.8324 439.0235 1.1454 -0.1269
|
|
82 4 13.6293 273.3706 450.1389 1.1524 -0.1323
|
|
83 4 13.6556 273.8844 461.6167 1.1599 -0.1379
|
|
84 4 13.6805 274.3544 473.4588 1.1680 -0.1438
|
|
85 4 13.7042 274.7601 485.6702 1.1765 -0.1500
|
|
86 4 13.7265 275.0798 498.2564 1.1856 -0.1565
|
|
87 4 13.7474 275.2925 511.2218 1.1952 -0.1633
|
|
88 4 13.7669 275.3754 524.5675 1.2055 -0.1704
|
|
89 4 13.7851 275.3067 538.2904 1.2163 -0.1778
|
|
90 4 13.8019 275.0644 552.3826 1.2277 -0.1855
|
|
91 4 13.8172 274.6272 566.8312 1.2398 -0.1934
|
|
92 4 13.8311 273.9746 581.6187 1.2526 -0.2016
|
|
93 4 13.8436 273.0868 596.7237 1.2660 -0.2101
|
|
94 4 13.8546 271.9460 612.1212 1.2802 -0.2189
|
|
95 4 13.8642 270.5357 627.7843 1.2950 -0.2278
|
|
96 4 13.8723 268.8410 643.6838 1.3106 -0.2370
|
|
97 4 13.8789 266.8483 659.7896 1.3270 -0.2464
|
|
98 4 13.8841 264.5463 676.0707 1.3441 -0.2560
|
|
99 4 13.8878 261.9247 692.4953 1.3619 -0.2657
|
|
100 4 13.8900 258.9751 709.0312 1.3805 -0.2756
|
|
101 4 13.8908 233.6060 675.8554 1.3671 -0.2685
|
|
102 4 13.8889 241.2268 654.2458 1.3422 -0.2549
|
|
103 4 13.8833 243.7637 634.9305 1.3221 -0.2436
|
|
104 4 13.8740 245.6731 615.9225 1.3033 -0.2327
|
|
105 4 13.8610 247.0129 597.2828 1.2858 -0.2223
|
|
106 4 13.8443 247.8387 579.0576 1.2694 -0.2122
|
|
107 4 13.8239 248.2037 561.2805 1.2542 -0.2027
|
|
108 4 13.7998 248.1570 543.9744 1.2400 -0.1936
|
|
109 4 13.7721 247.7469 527.1535 1.2269 -0.1849
|
|
110 4 13.7408 247.0180 510.8246 1.2147 -0.1767
|
|
111 4 13.7060 246.0120 494.9887 1.2033 -0.1689
|
|
112 4 13.6676 244.7676 479.6420 1.1927 -0.1616
|
|
113 4 13.6257 243.3203 464.7769 1.1829 -0.1546
|
|
114 4 13.5804 241.7035 450.3833 1.1736 -0.1480
|
|
115 4 13.5317 239.9483 436.4490 1.1650 -0.1417
|
|
116 4 13.4797 238.0835 422.9603 1.1570 -0.1357
|
|
117 4 13.4244 236.1357 409.9027 1.1494 -0.1300
|
|
118 4 13.3658 234.1299 397.2616 1.1423 -0.1246
|
|
119 4 13.3041 232.0891 385.0222 1.1355 -0.1194
|
|
120 4 13.2393 230.0348 373.1702 1.1292 -0.1144
|
|
121 4 13.1714 227.9869 361.6923 1.1231 -0.1096
|
|
122 4 13.1006 225.9639 350.5763 1.1174 -0.1051
|
|
123 4 13.0270 223.9830 339.8118 1.1119 -0.1007
|
|
124 4 12.9505 222.0601 329.3903 1.1067 -0.0964
|
|
125 4 12.8713 220.2098 319.3062 1.1016 -0.0923
|
|
126 4 12.7895 218.4457 309.5571 1.0968 -0.0882
|
|
127 4 12.7051 216.7801 300.1446 1.0921 -0.0843
|
|
128 4 12.6183 215.2234 291.0745 1.0876 -0.0805
|
|
129 4 12.5291 213.7852 282.3577 1.0832 -0.0768
|
|
130 4 12.4376 212.4741 274.0100 1.0790 -0.0732
|
|
131 4 12.3439 211.2970 266.0517 1.0748 -0.0696
|
|
132 4 12.2482 210.2587 258.5065 1.0708 -0.0662
|
|
133 4 12.1505 209.3616 251.3997 1.0670 -0.0628
|
|
134 4 12.0509 208.6053 244.7551 1.0633 -0.0595
|
|
135 4 11.9495 207.9856 238.5912 1.0597 -0.0563
|
|
136 4 11.8465 207.4941 232.9171 1.0564 -0.0534
|
|
137 4 11.7419 207.1175 227.7285 1.0533 -0.0506
|
|
138 4 11.6358 206.8377 223.0041 1.0504 -0.0480
|
|
139 4 11.5284 206.6323 218.7058 1.0479 -0.0457
|
|
140 4 11.4198 206.4776 214.7816 1.0456 -0.0436
|
|
141 4 11.3100 206.3530 211.1760 1.0436 -0.0417
|
|
142 4 11.1993 206.2459 207.8490 1.0416 -0.0400
|
|
143 4 11.0876 206.1559 204.8024 1.0397 -0.0382
|
|
144 4 10.9751 206.0939 202.1105 1.0377 -0.0363
|
|
145 4 10.8620 206.0729 199.9389 1.0356 -0.0343
|
|
146 4 10.7483 206.0898 198.5345 1.0334 -0.0323
|
|
147 4 10.6342 206.0956 198.1705 1.0315 -0.0305
|
|
148 4 10.5197 205.9607 199.0466 1.0303 -0.0295
|
|
149 4 10.4050 205.4556 201.1723 1.0304 -0.0295
|
|
150 4 10.2902 204.2974 204.2761 1.0316 -0.0306
|
|
151 4 10.1754 202.2755 207.7931 1.0334 -0.0323
|
|
152 4 10.0608 199.3525 210.9633 1.0349 -0.0337
|
|
153 4 9.9464 195.6620 213.0271 1.0355 -0.0343
|
|
154 4 9.8323 191.4702 213.4456 1.0349 -0.0337
|
|
155 4 9.7187 187.0952 212.0425 1.0331 -0.0320
|
|
156 4 9.6057 182.7922 209.0000 1.0306 -0.0297
|
|
157 4 9.4933 178.7089 204.7304 1.0279 -0.0272
|
|
158 4 9.3818 174.9101 199.7090 1.0253 -0.0246
|
|
159 4 9.2711 171.4133 194.3518 1.0228 -0.0223
|
|
160 4 9.1615 168.2078 188.9706 1.0206 -0.0201
|
|
161 4 9.0529 165.2733 183.7855 1.0186 -0.0183
|
|
162 4 8.9456 162.5847 178.9567 1.0169 -0.0167
|
|
163 4 8.8396 160.1100 174.6048 1.0156 -0.0153
|
|
164 4 8.7350 157.8078 170.8106 1.0146 -0.0144
|
|
165 4 8.6319 155.6234 167.6005 1.0140 -0.0138
|
|
166 4 8.5305 153.4921 164.9354 1.0138 -0.0136
|
|
167 4 8.4307 151.3569 162.7174 1.0140 -0.0138
|
|
168 4 8.3328 149.1958 160.8163 1.0143 -0.0141
|
|
169 4 8.2367 147.0293 159.1048 1.0145 -0.0143
|
|
170 4 8.1427 144.8979 157.4857 1.0146 -0.0144
|
|
171 4 8.0507 142.8364 155.9003 1.0147 -0.0145
|
|
172 4 7.9608 140.8644 154.3209 1.0147 -0.0145
|
|
173 4 7.8732 138.9881 152.7336 1.0148 -0.0146
|
|
174 4 7.7880 137.2057 151.1245 1.0150 -0.0148
|
|
175 4 7.7051 135.5120 149.4717 1.0152 -0.0150
|
|
176 4 7.6247 133.9006 147.7450 1.0155 -0.0152
|
|
177 4 7.5468 132.3659 145.9102 1.0158 -0.0155
|
|
178 4 7.4716 130.9037 143.9354 1.0160 -0.0158
|
|
179 4 7.3990 129.5117 141.7958 1.0162 -0.0160
|
|
180 4 7.3292 128.1891 139.4775 1.0164 -0.0161
|
|
181 4 7.2623 126.9370 136.9787 1.0164 -0.0161
|
|
182 4 7.1982 125.7571 134.3103 1.0162 -0.0160
|
|
183 4 7.1370 124.6516 131.4938 1.0159 -0.0157
|
|
184 4 7.0788 123.6222 128.5602 1.0154 -0.0151
|
|
185 4 7.0237 122.6691 125.5467 1.0147 -0.0144
|
|
186 4 6.9717 121.7908 122.4945 1.0137 -0.0136
|
|
187 4 6.9228 120.9832 119.4458 1.0126 -0.0125
|
|
188 4 6.8770 120.2392 116.4404 1.0114 -0.0113
|
|
189 4 6.8345 119.5480 113.5134 1.0101 -0.0100
|
|
190 4 6.7953 118.8887 110.6916 1.0087 -0.0086
|
|
191 4 6.7594 118.2513 107.9919 1.0073 -0.0072
|
|
192 4 6.7267 117.6322 105.4196 1.0059 -0.0059
|
|
193 4 6.6975 117.0061 102.9682 1.0045 -0.0045
|
|
194 4 6.6716 116.3519 100.6210 1.0033 -0.0033
|
|
195 4 6.6491 115.6487 98.3538 1.0021 -0.0021
|
|
196 4 6.6301 114.8821 96.1382 1.0010 -0.0010
|
|
197 4 6.6145 114.0430 93.9460 1.0000 0.0000
|
|
198 4 6.6023 113.1241 91.7528 0.9990 0.0010
|
|
199 4 6.5936 112.1229 89.5411 0.9981 0.0019
|
|
200 4 6.5884 111.0416 87.3018 0.9971 0.0029
|
|
201 4 6.5866 109.8859 85.0346 0.9961 0.0039
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 57Mb
|
|
VmPeak = 3754Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 0.76s CPU 0.81s WALL ( 1 calls)
|
|
ep-interp : 0.67s CPU 0.72s WALL ( 201 calls)
|
|
|
|
DynW2B : 0.00s CPU 0.00s WALL ( 201 calls)
|
|
HamW2B : 0.21s CPU 0.23s WALL ( 20856 calls)
|
|
ephW2Bp : 0.10s CPU 0.11s WALL ( 201 calls)
|
|
ephW2B : 0.10s CPU 0.11s WALL ( 10251 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 0.77s CPU 0.83s 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)
|
|
|
|
|
|
For your convenience, this information is also reported in the
|
|
functionality-dependent EPW.bib file.
|
|
===============================================================================
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|
|