mirror of https://gitlab.com/QEF/q-e.git
3123 lines
236 KiB
Plaintext
3123 lines
236 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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S. Ponce, E. R. Margine, C. Verdi, and F. Giustino,
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Comput. Phys. Commun. 209, 116 (2016)
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Program EPW v.5.0.0 starts on 11Jan2019 at 17:22:55
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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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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 1 processors
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MPI processes distributed on 1 nodes
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Reading data from directory:
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./diam.save/
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IMPORTANT: XC functional enforced from input :
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Exchange-correlation = PZ ( 1 1 0 0 0 0)
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Any further DFT definition will be discarded
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Please, verify this is what you really want
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file C_3.98148.UPF: wavefunction(s) 3d renormalized
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G-vector sticks info
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--------------------
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sticks: dense smooth PW G-vecs: dense smooth PW
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Sum 367 367 121 4645 4645 893
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Possibly too few bands at point 1 0.00000 0.00000 0.00000
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Possibly too few bands at point 2 -0.33333 0.33333 -0.33333
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Possibly too few bands at point 3 -0.66667 0.66667 -0.66667
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Possibly too few bands at point 4 0.33333 0.33333 0.33333
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Possibly too few bands at point 5 0.00000 0.66667 0.00000
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Possibly too few bands at point 6 -0.33333 1.00000 -0.33333
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Possibly too few bands at point 7 0.66667 0.66667 0.66667
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Possibly too few bands at point 8 0.33333 1.00000 0.33333
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Possibly too few bands at point 9 0.00000 1.33333 0.00000
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Possibly too few bands at point 10 -0.33333 -0.33333 0.33333
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Possibly too few bands at point 11 -0.66667 0.00000 0.00000
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Possibly too few bands at point 12 -1.00000 0.33333 -0.33333
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Possibly too few bands at point 13 0.00000 0.00000 0.66667
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Possibly too few bands at point 14 -0.33333 0.33333 0.33333
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Possibly too few bands at point 15 -0.66667 0.66667 -0.00000
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Possibly too few bands at point 16 0.33333 0.33333 1.00000
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Possibly too few bands at point 17 0.00000 0.66667 0.66667
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Possibly too few bands at point 18 -0.33333 1.00000 0.33333
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Possibly too few bands at point 19 -0.66667 -0.66667 0.66667
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Possibly too few bands at point 20 -1.00000 -0.33333 0.33333
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Possibly too few bands at point 21 -1.33333 0.00000 0.00000
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Possibly too few bands at point 22 -0.33333 -0.33333 1.00000
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Possibly too few bands at point 23 -0.66667 -0.00000 0.66667
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Possibly too few bands at point 24 -1.00000 0.33333 0.33333
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Possibly too few bands at point 25 0.00000 0.00000 1.33333
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Possibly too few bands at point 26 -0.33333 0.33333 1.00000
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Possibly too few bands at point 27 -0.66667 0.66667 0.66667
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--
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bravais-lattice index = 2
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lattice parameter (a_0) = 6.6425 a.u.
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unit-cell volume = 73.2698 (a.u.)^3
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number of atoms/cell = 2
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number of atomic types = 1
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kinetic-energy cut-off = 60.0000 Ry
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charge density cut-off = 240.0000 Ry
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Exchange-correlation = PZ ( 1 1 0 0 0 0)
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celldm(1)= 6.64245 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) = ( -0.5000 0.0000 0.5000 )
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a(2) = ( 0.0000 0.5000 0.5000 )
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a(3) = ( -0.5000 0.5000 0.0000 )
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reciprocal axes: (cart. coord. in units 2 pi/a_0)
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b(1) = ( -1.0000 -1.0000 1.0000 )
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b(2) = ( 1.0000 1.0000 1.0000 )
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b(3) = ( -1.0000 1.0000 -1.0000 )
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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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1 C 12.0108 tau( 1) = ( 0.00000 0.00000 0.00000 )
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2 C 12.0108 tau( 2) = ( 0.25000 0.25000 0.25000 )
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49 Sym.Ops. (with q -> -q+G )
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G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24)
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number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1
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cart. coord. in units 2pi/a_0
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k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741
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k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741
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k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741
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k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741
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k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741
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k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741
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k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741
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k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741
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k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741
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k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741
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k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741
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k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741
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k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741
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k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741
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k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741
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k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741
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k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741
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k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741
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k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741
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k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741
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k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741
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k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741
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k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741
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k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741
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k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741
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k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741
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k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741
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PseudoPot. # 1 for C read from file:
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./C_3.98148.UPF
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MD5 check sum: 8b65adcd36341f53911399f4b6efa59f
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Pseudo is Norm-conserving, Zval = 4.0
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Generated by new atomic code, or converted to UPF format
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Using radial grid of 461 points, 2 beta functions with:
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l(1) = 0
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l(2) = 1
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EPW : 0.06s CPU 0.06s WALL
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EPW : 0.08s CPU 0.09s WALL
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No wavefunction gauge setting applied
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-------------------------------------------------------------------
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Using diam.ukk from disk
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-------------------------------------------------------------------
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Dipole matrix elements calculated
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Using kmap and kgmap from disk
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Symmetries of Bravais lattice: 48
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Symmetries of crystal: 48
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Reading epmatq from .epb files
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The .epb files have been correctly read
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Construct the Wigner-Seitz cell using Wannier centers and atomic positions
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Number of WS vectors for electrons 79
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Number of WS vectors for phonons 63
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Number of WS vectors for electron-phonon 53
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Maximum number of cores for efficient parallelization 106
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Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
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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 = 22Mb
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VmPeak = 296Mb
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===================================================================
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Using uniform q-mesh: 6 6 6
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Size of q point mesh for interpolation: 216
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Using uniform k-mesh: 6 6 6
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Size of k point mesh for interpolation: 432
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Max number of k points per pool: 432
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Fermi energy coarse grid = 14.009584 eV
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Fermi energy is calculated from the fine k-mesh: Ef = 13.574366 eV
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Warning: check if difference with Fermi level fine grid makes sense
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===================================================================
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ibndmin = 1 ebndmin = -0.087
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ibndmax = 4 ebndmax = 1.021
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Number of ep-matrix elements per pool : 20736 ~= 162.00 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 216 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/ 216
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Progression iq (fine) = 200/ 216
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Average over degenerate eigenstates is performed
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WARNING: only the eigenstates within the Fermi window are meaningful
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ik = 1 coord.: 0.0000000 0.0000000 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -21.5311 eV Re[Sigma]= -64.195300 meV Im[Sigma]= 4.762080 meV Z= 0.992628 lam= 0.007427
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E( 2 )= 0.3164 eV Re[Sigma]= 142.724487 meV Im[Sigma]= 40.647145 meV Z= 0.982696 lam= 0.017609
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E( 3 )= 0.3164 eV Re[Sigma]= 142.724487 meV Im[Sigma]= 40.647145 meV Z= 0.982696 lam= 0.017609
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E( 4 )= 0.3164 eV Re[Sigma]= 142.724487 meV Im[Sigma]= 40.647145 meV Z= 0.982696 lam= 0.017609
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-------------------------------------------------------------------
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ik = 2 coord.: 0.0000000 0.0000000 0.1666667
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-------------------------------------------------------------------
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E( 1 )= -20.6565 eV Re[Sigma]= -66.888232 meV Im[Sigma]= 14.416785 meV Z= 0.996711 lam= 0.003300
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E( 2 )= -2.7023 eV Re[Sigma]= 87.711789 meV Im[Sigma]= 183.299483 meV Z= 1.046808 lam= -0.044715
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E( 3 )= -0.4637 eV Re[Sigma]= 132.777889 meV Im[Sigma]= 76.826298 meV Z= 1.003080 lam= -0.003071
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E( 4 )= -0.4637 eV Re[Sigma]= 132.777889 meV Im[Sigma]= 76.826298 meV Z= 1.003080 lam= -0.003071
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-------------------------------------------------------------------
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ik = 3 coord.: 0.0000000 0.0000000 0.3333333
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-------------------------------------------------------------------
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E( 1 )= -18.3959 eV Re[Sigma]= -57.420310 meV Im[Sigma]= 43.251818 meV Z= 1.003883 lam= -0.003868
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E( 2 )= -9.2172 eV Re[Sigma]= -17.158346 meV Im[Sigma]= 43.268380 meV Z= 0.991005 lam= 0.009077
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E( 3 )= -2.0888 eV Re[Sigma]= 95.757817 meV Im[Sigma]= 139.788669 meV Z= 1.020210 lam= -0.019810
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E( 4 )= -2.0888 eV Re[Sigma]= 95.757817 meV Im[Sigma]= 139.788669 meV Z= 1.020210 lam= -0.019810
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-------------------------------------------------------------------
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ik = 4 coord.: 0.0000000 0.0000000 0.5000000
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-------------------------------------------------------------------
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E( 1 )= -15.3937 eV Re[Sigma]= -50.150957 meV Im[Sigma]= 56.782521 meV Z= 1.002270 lam= -0.002265
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E( 2 )= -14.3295 eV Re[Sigma]= 1.293561 meV Im[Sigma]= 53.591868 meV Z= 0.998183 lam= 0.001820
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E( 3 )= -2.9337 eV Re[Sigma]= 56.116634 meV Im[Sigma]= 163.388772 meV Z= 1.043013 lam= -0.041239
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E( 4 )= -2.9337 eV Re[Sigma]= 56.116634 meV Im[Sigma]= 163.388772 meV Z= 1.043013 lam= -0.041239
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-------------------------------------------------------------------
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ik = 5 coord.: 0.0000000 0.0000000 0.6666667
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-------------------------------------------------------------------
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E( 1 )= -18.3959 eV Re[Sigma]= -57.420333 meV Im[Sigma]= 43.251790 meV Z= 1.003883 lam= -0.003868
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E( 2 )= -9.2172 eV Re[Sigma]= -17.158344 meV Im[Sigma]= 43.268378 meV Z= 0.991005 lam= 0.009077
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E( 3 )= -2.0888 eV Re[Sigma]= 95.757807 meV Im[Sigma]= 139.788678 meV Z= 1.020210 lam= -0.019810
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E( 4 )= -2.0888 eV Re[Sigma]= 95.757807 meV Im[Sigma]= 139.788678 meV Z= 1.020210 lam= -0.019810
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-------------------------------------------------------------------
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ik = 6 coord.: 0.0000000 0.0000000 0.8333333
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-------------------------------------------------------------------
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E( 1 )= -20.6565 eV Re[Sigma]= -66.888225 meV Im[Sigma]= 14.416770 meV Z= 0.996711 lam= 0.003300
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E( 2 )= -2.7023 eV Re[Sigma]= 87.711788 meV Im[Sigma]= 183.299417 meV Z= 1.046808 lam= -0.044715
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E( 3 )= -0.4637 eV Re[Sigma]= 132.777885 meV Im[Sigma]= 76.826294 meV Z= 1.003080 lam= -0.003071
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E( 4 )= -0.4637 eV Re[Sigma]= 132.777885 meV Im[Sigma]= 76.826294 meV Z= 1.003080 lam= -0.003071
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-------------------------------------------------------------------
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ik = 7 coord.: 0.0000000 0.1666667 0.0000000
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-------------------------------------------------------------------
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E( 1 )= -20.6565 eV Re[Sigma]= -66.888232 meV Im[Sigma]= 14.416783 meV Z= 0.996711 lam= 0.003300
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E( 2 )= -2.7023 eV Re[Sigma]= 87.711795 meV Im[Sigma]= 183.299529 meV Z= 1.046808 lam= -0.044715
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E( 3 )= -0.4637 eV Re[Sigma]= 132.777865 meV Im[Sigma]= 76.826280 meV Z= 1.003080 lam= -0.003071
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E( 4 )= -0.4637 eV Re[Sigma]= 132.777865 meV Im[Sigma]= 76.826280 meV Z= 1.003080 lam= -0.003071
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-------------------------------------------------------------------
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ik = 8 coord.: 0.0000000 0.1666667 0.1666667
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-------------------------------------------------------------------
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E( 1 )= -20.3785 eV Re[Sigma]= -67.102239 meV Im[Sigma]= 16.918766 meV Z= 0.995972 lam= 0.004044
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E( 2 )= -1.6787 eV Re[Sigma]= 118.867238 meV Im[Sigma]= 128.921027 meV Z= 1.008509 lam= -0.008438
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E( 3 )= -1.6770 eV Re[Sigma]= 112.963604 meV Im[Sigma]= 116.961964 meV Z= 1.006985 lam= -0.006937
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E( 4 )= -1.6770 eV Re[Sigma]= 112.963604 meV Im[Sigma]= 116.961964 meV Z= 1.006985 lam= -0.006937
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-------------------------------------------------------------------
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ik = 9 coord.: 0.0000000 0.1666667 0.3333333
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-------------------------------------------------------------------
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E( 1 )= -18.5799 eV Re[Sigma]= -60.033959 meV Im[Sigma]= 43.185985 meV Z= 1.007065 lam= -0.007016
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E( 2 )= -6.8153 eV Re[Sigma]= -8.587114 meV Im[Sigma]= 101.481757 meV Z= 1.010313 lam= -0.010208
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E( 3 )= -3.3726 eV Re[Sigma]= 47.183771 meV Im[Sigma]= 160.794294 meV Z= 1.029103 lam= -0.028280
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E( 4 )= -2.6774 eV Re[Sigma]= 78.753777 meV Im[Sigma]= 166.621131 meV Z= 1.042399 lam= -0.040675
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-------------------------------------------------------------------
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ik = 10 coord.: 0.0000000 0.1666667 0.5000000
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-------------------------------------------------------------------
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E( 1 )= -15.5807 eV Re[Sigma]= -40.814109 meV Im[Sigma]= 62.833831 meV Z= 1.005169 lam= -0.005142
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E( 2 )= -12.3954 eV Re[Sigma]= -10.271171 meV Im[Sigma]= 66.295638 meV Z= 1.012022 lam= -0.011879
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E( 3 )= -4.5402 eV Re[Sigma]= 13.542253 meV Im[Sigma]= 139.875110 meV Z= 1.023109 lam= -0.022587
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E( 4 )= -3.9016 eV Re[Sigma]= 27.791119 meV Im[Sigma]= 142.168838 meV Z= 1.026498 lam= -0.025814
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-------------------------------------------------------------------
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ik = 11 coord.: 0.0000000 0.1666667 0.6666667
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-------------------------------------------------------------------
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E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588519 meV Z= 1.014702 lam= -0.014489
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E( 2 )= -10.6236 eV Re[Sigma]= -9.278978 meV Im[Sigma]= 55.619306 meV Z= 1.004844 lam= -0.004820
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E( 3 )= -5.2837 eV Re[Sigma]= 0.179676 meV Im[Sigma]= 121.843049 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244397 meV Im[Sigma]= 157.409077 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167667 meV Im[Sigma]= 35.373462 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989648 meV Im[Sigma]= 149.675776 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038786 meV Im[Sigma]= 162.391251 meV Z= 1.028827 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494379 meV Im[Sigma]= 85.641454 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420309 meV Im[Sigma]= 43.251818 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158347 meV Im[Sigma]= 43.268380 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757811 meV Im[Sigma]= 139.788651 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757811 meV Im[Sigma]= 139.788651 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033956 meV Im[Sigma]= 43.185977 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587119 meV Im[Sigma]= 101.481759 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183772 meV Im[Sigma]= 160.794292 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753776 meV Im[Sigma]= 166.621111 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065558 meV Im[Sigma]= 47.361107 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980309 meV Im[Sigma]= 106.612460 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.752050 meV Im[Sigma]= 110.039210 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.752050 meV Im[Sigma]= 110.039210 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644988 meV Im[Sigma]= 54.975637 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303669 meV Im[Sigma]= 56.546265 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025954 meV Im[Sigma]= 82.181510 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219353 meV Im[Sigma]= 82.343937 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704959 meV Im[Sigma]= 56.359698 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250726 meV Im[Sigma]= 60.804179 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219262 meV Im[Sigma]= 35.983627 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784061 meV Im[Sigma]= 129.065259 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905212 meV Im[Sigma]= 66.588520 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278982 meV Im[Sigma]= 55.619309 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179676 meV Im[Sigma]= 121.843012 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244407 meV Im[Sigma]= 157.409056 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -50.150956 meV Im[Sigma]= 56.782519 meV Z= 1.002270 lam= -0.002265
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.293534 meV Im[Sigma]= 53.591865 meV Z= 0.998183 lam= 0.001820
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.116641 meV Im[Sigma]= 163.388770 meV Z= 1.043013 lam= -0.041239
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.116641 meV Im[Sigma]= 163.388770 meV Z= 1.043013 lam= -0.041239
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814120 meV Im[Sigma]= 62.833823 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271181 meV Im[Sigma]= 66.295630 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542261 meV Im[Sigma]= 139.875094 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791122 meV Im[Sigma]= 142.168838 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644992 meV Im[Sigma]= 54.975642 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303666 meV Im[Sigma]= 56.546255 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025960 meV Im[Sigma]= 82.181512 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219352 meV Im[Sigma]= 82.343933 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.857903 meV Im[Sigma]= 72.855149 meV Z= 1.007834 lam= -0.007773
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.857903 meV Im[Sigma]= 72.855149 meV Z= 1.007834 lam= -0.007773
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.576523 meV Im[Sigma]= 66.119899 meV Z= 1.005549 lam= -0.005518
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.576523 meV Im[Sigma]= 66.119899 meV Z= 1.005549 lam= -0.005518
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644987 meV Im[Sigma]= 54.975631 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303718 meV Im[Sigma]= 56.546316 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025982 meV Im[Sigma]= 82.181503 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219384 meV Im[Sigma]= 82.343965 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814115 meV Im[Sigma]= 62.833804 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271205 meV Im[Sigma]= 66.295634 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542240 meV Im[Sigma]= 139.875109 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791147 meV Im[Sigma]= 142.168889 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420332 meV Im[Sigma]= 43.251762 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158372 meV Im[Sigma]= 43.268377 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757816 meV Im[Sigma]= 139.788673 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757816 meV Im[Sigma]= 139.788673 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905216 meV Im[Sigma]= 66.588501 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278999 meV Im[Sigma]= 55.619313 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179689 meV Im[Sigma]= 121.843042 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244404 meV Im[Sigma]= 157.409092 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704955 meV Im[Sigma]= 56.359700 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250731 meV Im[Sigma]= 60.804177 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219257 meV Im[Sigma]= 35.983621 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784061 meV Im[Sigma]= 129.065270 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644989 meV Im[Sigma]= 54.975629 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303705 meV Im[Sigma]= 56.546316 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025996 meV Im[Sigma]= 82.181466 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219387 meV Im[Sigma]= 82.343976 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065570 meV Im[Sigma]= 47.361091 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980399 meV Im[Sigma]= 106.612478 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.751971 meV Im[Sigma]= 110.039243 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.751971 meV Im[Sigma]= 110.039243 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033966 meV Im[Sigma]= 43.185936 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587166 meV Im[Sigma]= 101.481799 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183759 meV Im[Sigma]= 160.794386 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753794 meV Im[Sigma]= 166.621173 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6565 eV Re[Sigma]= -66.888218 meV Im[Sigma]= 14.416763 meV Z= 0.996711 lam= 0.003300
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.711818 meV Im[Sigma]= 183.299534 meV Z= 1.046808 lam= -0.044715
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.777876 meV Im[Sigma]= 76.826286 meV Z= 1.003080 lam= -0.003071
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.777876 meV Im[Sigma]= 76.826286 meV Z= 1.003080 lam= -0.003071
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167662 meV Im[Sigma]= 35.373453 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989633 meV Im[Sigma]= 149.675800 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038787 meV Im[Sigma]= 162.391246 meV Z= 1.028827 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494394 meV Im[Sigma]= 85.641466 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905209 meV Im[Sigma]= 66.588525 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278981 meV Im[Sigma]= 55.619303 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179679 meV Im[Sigma]= 121.842993 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244412 meV Im[Sigma]= 157.409080 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814109 meV Im[Sigma]= 62.833807 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271181 meV Im[Sigma]= 66.295641 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542242 meV Im[Sigma]= 139.875091 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791141 meV Im[Sigma]= 142.168894 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033962 meV Im[Sigma]= 43.185945 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587124 meV Im[Sigma]= 101.481782 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183755 meV Im[Sigma]= 160.794385 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753777 meV Im[Sigma]= 166.621200 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.102223 meV Im[Sigma]= 16.918761 meV Z= 0.995972 lam= 0.004044
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.867267 meV Im[Sigma]= 128.921039 meV Z= 1.008509 lam= -0.008438
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.963629 meV Im[Sigma]= 116.962001 meV Z= 1.006985 lam= -0.006937
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.963629 meV Im[Sigma]= 116.962001 meV Z= 1.006985 lam= -0.006937
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6565 eV Re[Sigma]= -66.888231 meV Im[Sigma]= 14.416785 meV Z= 0.996711 lam= 0.003300
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.711800 meV Im[Sigma]= 183.299510 meV Z= 1.046808 lam= -0.044715
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.777880 meV Im[Sigma]= 76.826289 meV Z= 1.003080 lam= -0.003071
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.777880 meV Im[Sigma]= 76.826289 meV Z= 1.003080 lam= -0.003071
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.102237 meV Im[Sigma]= 16.918764 meV Z= 0.995972 lam= 0.004044
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.867247 meV Im[Sigma]= 128.921038 meV Z= 1.008509 lam= -0.008438
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.963605 meV Im[Sigma]= 116.961968 meV Z= 1.006985 lam= -0.006937
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.963605 meV Im[Sigma]= 116.961968 meV Z= 1.006985 lam= -0.006937
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033958 meV Im[Sigma]= 43.185978 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587113 meV Im[Sigma]= 101.481758 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183773 meV Im[Sigma]= 160.794306 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753765 meV Im[Sigma]= 166.621117 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814111 meV Im[Sigma]= 62.833826 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271168 meV Im[Sigma]= 66.295642 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542248 meV Im[Sigma]= 139.875097 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791127 meV Im[Sigma]= 142.168830 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588522 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278980 meV Im[Sigma]= 55.619308 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179678 meV Im[Sigma]= 121.843066 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244404 meV Im[Sigma]= 157.409062 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167668 meV Im[Sigma]= 35.373462 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989645 meV Im[Sigma]= 149.675801 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038797 meV Im[Sigma]= 162.391252 meV Z= 1.028827 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494391 meV Im[Sigma]= 85.641465 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.102240 meV Im[Sigma]= 16.918766 meV Z= 0.995972 lam= 0.004044
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.867208 meV Im[Sigma]= 128.921007 meV Z= 1.008509 lam= -0.008438
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.963614 meV Im[Sigma]= 116.961972 meV Z= 1.006985 lam= -0.006937
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.963614 meV Im[Sigma]= 116.961972 meV Z= 1.006985 lam= -0.006937
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6565 eV Re[Sigma]= -66.888233 meV Im[Sigma]= 14.416767 meV Z= 0.996711 lam= 0.003300
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.711808 meV Im[Sigma]= 183.299512 meV Z= 1.046808 lam= -0.044715
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.777868 meV Im[Sigma]= 76.826284 meV Z= 1.003080 lam= -0.003071
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.777868 meV Im[Sigma]= 76.826284 meV Z= 1.003080 lam= -0.003071
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167674 meV Im[Sigma]= 35.373466 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989639 meV Im[Sigma]= 149.675779 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038798 meV Im[Sigma]= 162.391224 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494395 meV Im[Sigma]= 85.641465 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905214 meV Im[Sigma]= 66.588520 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278987 meV Im[Sigma]= 55.619308 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179678 meV Im[Sigma]= 121.842982 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244420 meV Im[Sigma]= 157.409069 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814112 meV Im[Sigma]= 62.833812 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271179 meV Im[Sigma]= 66.295632 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542245 meV Im[Sigma]= 139.875049 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791137 meV Im[Sigma]= 142.168872 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033972 meV Im[Sigma]= 43.185967 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587095 meV Im[Sigma]= 101.481775 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183755 meV Im[Sigma]= 160.794298 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753759 meV Im[Sigma]= 166.621103 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033958 meV Im[Sigma]= 43.185982 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587115 meV Im[Sigma]= 101.481751 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183772 meV Im[Sigma]= 160.794297 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753768 meV Im[Sigma]= 166.621098 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167671 meV Im[Sigma]= 35.373462 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989638 meV Im[Sigma]= 149.675769 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038798 meV Im[Sigma]= 162.391229 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494389 meV Im[Sigma]= 85.641455 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033965 meV Im[Sigma]= 43.185965 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587101 meV Im[Sigma]= 101.481774 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183764 meV Im[Sigma]= 160.794291 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753799 meV Im[Sigma]= 166.621125 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161518 meV Im[Sigma]= 68.967978 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311522 meV Im[Sigma]= 58.424427 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468328 meV Im[Sigma]= 87.511759 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914642 meV Im[Sigma]= 143.209112 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763025 meV Im[Sigma]= 58.301543 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730050 meV Im[Sigma]= 62.713905 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163895 meV Im[Sigma]= 90.313825 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634490 meV Im[Sigma]= 104.629849 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161517 meV Im[Sigma]= 68.967988 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311516 meV Im[Sigma]= 58.424424 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468338 meV Im[Sigma]= 87.511747 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914628 meV Im[Sigma]= 143.209079 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814112 meV Im[Sigma]= 62.833822 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271172 meV Im[Sigma]= 66.295639 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542266 meV Im[Sigma]= 139.875082 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791123 meV Im[Sigma]= 142.168842 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905216 meV Im[Sigma]= 66.588518 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278987 meV Im[Sigma]= 55.619305 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179683 meV Im[Sigma]= 121.842982 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244408 meV Im[Sigma]= 157.409056 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161522 meV Im[Sigma]= 68.967974 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311518 meV Im[Sigma]= 58.424426 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468333 meV Im[Sigma]= 87.511745 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914639 meV Im[Sigma]= 143.209096 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644994 meV Im[Sigma]= 54.975623 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303668 meV Im[Sigma]= 56.546280 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025947 meV Im[Sigma]= 82.181496 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219358 meV Im[Sigma]= 82.343958 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777555 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777555 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447619 meV Im[Sigma]= 69.962691 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447619 meV Im[Sigma]= 69.962691 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763031 meV Im[Sigma]= 58.301552 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730056 meV Im[Sigma]= 62.713907 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163902 meV Im[Sigma]= 90.313848 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634494 meV Im[Sigma]= 104.629847 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905219 meV Im[Sigma]= 66.588510 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278998 meV Im[Sigma]= 55.619324 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179682 meV Im[Sigma]= 121.843082 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244402 meV Im[Sigma]= 157.409067 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814116 meV Im[Sigma]= 62.833805 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271201 meV Im[Sigma]= 66.295633 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542261 meV Im[Sigma]= 139.875071 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791137 meV Im[Sigma]= 142.168852 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763029 meV Im[Sigma]= 58.301546 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730060 meV Im[Sigma]= 62.713897 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163884 meV Im[Sigma]= 90.313833 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634490 meV Im[Sigma]= 104.629844 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777555 meV Im[Sigma]= 75.331506 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777555 meV Im[Sigma]= 75.331506 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447627 meV Im[Sigma]= 69.962688 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447627 meV Im[Sigma]= 69.962688 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644986 meV Im[Sigma]= 54.975636 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303708 meV Im[Sigma]= 56.546286 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025980 meV Im[Sigma]= 82.181506 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219393 meV Im[Sigma]= 82.343949 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161526 meV Im[Sigma]= 68.967969 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311573 meV Im[Sigma]= 58.424459 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468355 meV Im[Sigma]= 87.511758 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914604 meV Im[Sigma]= 143.209120 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167664 meV Im[Sigma]= 35.373445 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989607 meV Im[Sigma]= 149.675861 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038795 meV Im[Sigma]= 162.391228 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494389 meV Im[Sigma]= 85.641452 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033971 meV Im[Sigma]= 43.185954 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587123 meV Im[Sigma]= 101.481787 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183750 meV Im[Sigma]= 160.794278 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753788 meV Im[Sigma]= 166.621115 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161521 meV Im[Sigma]= 68.967986 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311529 meV Im[Sigma]= 58.424436 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468328 meV Im[Sigma]= 87.511740 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914631 meV Im[Sigma]= 143.209093 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763030 meV Im[Sigma]= 58.301551 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730050 meV Im[Sigma]= 62.713913 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163908 meV Im[Sigma]= 90.313842 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634496 meV Im[Sigma]= 104.629855 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161527 meV Im[Sigma]= 68.967967 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311556 meV Im[Sigma]= 58.424453 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468366 meV Im[Sigma]= 87.511763 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914591 meV Im[Sigma]= 143.209141 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033954 meV Im[Sigma]= 43.185956 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587162 meV Im[Sigma]= 101.481776 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183756 meV Im[Sigma]= 160.794374 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753782 meV Im[Sigma]= 166.621213 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420309 meV Im[Sigma]= 43.251818 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158348 meV Im[Sigma]= 43.268380 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757811 meV Im[Sigma]= 139.788651 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757811 meV Im[Sigma]= 139.788651 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033960 meV Im[Sigma]= 43.185972 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587117 meV Im[Sigma]= 101.481762 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183772 meV Im[Sigma]= 160.794296 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753768 meV Im[Sigma]= 166.621098 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065560 meV Im[Sigma]= 47.361107 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980312 meV Im[Sigma]= 106.612464 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.752052 meV Im[Sigma]= 110.039201 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.752052 meV Im[Sigma]= 110.039201 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644982 meV Im[Sigma]= 54.975637 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303669 meV Im[Sigma]= 56.546264 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025949 meV Im[Sigma]= 82.181505 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219347 meV Im[Sigma]= 82.343921 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704960 meV Im[Sigma]= 56.359698 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250727 meV Im[Sigma]= 60.804178 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219261 meV Im[Sigma]= 35.983627 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784067 meV Im[Sigma]= 129.065246 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905212 meV Im[Sigma]= 66.588522 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278986 meV Im[Sigma]= 55.619309 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179674 meV Im[Sigma]= 121.843012 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244410 meV Im[Sigma]= 157.409059 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033961 meV Im[Sigma]= 43.185982 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587115 meV Im[Sigma]= 101.481756 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183770 meV Im[Sigma]= 160.794286 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753770 meV Im[Sigma]= 166.621102 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167676 meV Im[Sigma]= 35.373467 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989633 meV Im[Sigma]= 149.675764 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038800 meV Im[Sigma]= 162.391239 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494376 meV Im[Sigma]= 85.641444 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033970 meV Im[Sigma]= 43.185972 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587102 meV Im[Sigma]= 101.481770 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183760 meV Im[Sigma]= 160.794278 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753788 meV Im[Sigma]= 166.621098 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161520 meV Im[Sigma]= 68.967982 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311518 meV Im[Sigma]= 58.424422 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468321 meV Im[Sigma]= 87.511751 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914642 meV Im[Sigma]= 143.209097 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763030 meV Im[Sigma]= 58.301550 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730048 meV Im[Sigma]= 62.713905 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163888 meV Im[Sigma]= 90.313824 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634484 meV Im[Sigma]= 104.629848 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161521 meV Im[Sigma]= 68.967993 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311520 meV Im[Sigma]= 58.424428 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468333 meV Im[Sigma]= 87.511747 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914637 meV Im[Sigma]= 143.209081 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065562 meV Im[Sigma]= 47.361106 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980309 meV Im[Sigma]= 106.612459 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.752051 meV Im[Sigma]= 110.039201 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.752051 meV Im[Sigma]= 110.039201 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033971 meV Im[Sigma]= 43.185962 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587098 meV Im[Sigma]= 101.481779 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183769 meV Im[Sigma]= 160.794291 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753786 meV Im[Sigma]= 166.621112 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420337 meV Im[Sigma]= 43.251789 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158337 meV Im[Sigma]= 43.268374 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757813 meV Im[Sigma]= 139.788668 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757813 meV Im[Sigma]= 139.788668 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905214 meV Im[Sigma]= 66.588519 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278969 meV Im[Sigma]= 55.619318 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179689 meV Im[Sigma]= 121.843051 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244420 meV Im[Sigma]= 157.409085 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704959 meV Im[Sigma]= 56.359696 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250726 meV Im[Sigma]= 60.804181 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219252 meV Im[Sigma]= 35.983633 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784064 meV Im[Sigma]= 129.065261 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644987 meV Im[Sigma]= 54.975625 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303672 meV Im[Sigma]= 56.546284 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025949 meV Im[Sigma]= 82.181494 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219361 meV Im[Sigma]= 82.343934 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644983 meV Im[Sigma]= 54.975633 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303665 meV Im[Sigma]= 56.546254 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025941 meV Im[Sigma]= 82.181498 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219357 meV Im[Sigma]= 82.343938 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161523 meV Im[Sigma]= 68.967978 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311519 meV Im[Sigma]= 58.424424 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468328 meV Im[Sigma]= 87.511750 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914643 meV Im[Sigma]= 143.209098 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905216 meV Im[Sigma]= 66.588508 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278977 meV Im[Sigma]= 55.619311 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179693 meV Im[Sigma]= 121.843043 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244425 meV Im[Sigma]= 157.409096 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814110 meV Im[Sigma]= 62.833799 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271180 meV Im[Sigma]= 66.295631 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542259 meV Im[Sigma]= 139.875110 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791147 meV Im[Sigma]= 142.168855 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763030 meV Im[Sigma]= 58.301549 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730056 meV Im[Sigma]= 62.713910 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163890 meV Im[Sigma]= 90.313844 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634488 meV Im[Sigma]= 104.629845 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331498 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331498 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447615 meV Im[Sigma]= 69.962681 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447615 meV Im[Sigma]= 69.962681 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704960 meV Im[Sigma]= 56.359697 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250727 meV Im[Sigma]= 60.804181 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219246 meV Im[Sigma]= 35.983634 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784065 meV Im[Sigma]= 129.065258 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763035 meV Im[Sigma]= 58.301555 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730050 meV Im[Sigma]= 62.713908 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163889 meV Im[Sigma]= 90.313844 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634485 meV Im[Sigma]= 104.629839 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704960 meV Im[Sigma]= 56.359696 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250726 meV Im[Sigma]= 60.804181 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219252 meV Im[Sigma]= 35.983632 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784067 meV Im[Sigma]= 129.065264 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763032 meV Im[Sigma]= 58.301545 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730053 meV Im[Sigma]= 62.713906 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163893 meV Im[Sigma]= 90.313835 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634490 meV Im[Sigma]= 104.629857 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704960 meV Im[Sigma]= 56.359698 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250726 meV Im[Sigma]= 60.804181 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219261 meV Im[Sigma]= 35.983626 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784062 meV Im[Sigma]= 129.065257 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763043 meV Im[Sigma]= 58.301557 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730043 meV Im[Sigma]= 62.713905 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163911 meV Im[Sigma]= 90.313844 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634491 meV Im[Sigma]= 104.629840 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588514 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278995 meV Im[Sigma]= 55.619307 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179680 meV Im[Sigma]= 121.843005 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244411 meV Im[Sigma]= 157.409053 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161529 meV Im[Sigma]= 68.967978 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311531 meV Im[Sigma]= 58.424442 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468329 meV Im[Sigma]= 87.511760 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914637 meV Im[Sigma]= 143.209069 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644991 meV Im[Sigma]= 54.975625 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303677 meV Im[Sigma]= 56.546290 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025945 meV Im[Sigma]= 82.181498 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219354 meV Im[Sigma]= 82.343949 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777553 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777553 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447616 meV Im[Sigma]= 69.962686 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447616 meV Im[Sigma]= 69.962686 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763046 meV Im[Sigma]= 58.301559 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730053 meV Im[Sigma]= 62.713906 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163922 meV Im[Sigma]= 90.313853 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634496 meV Im[Sigma]= 104.629847 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814117 meV Im[Sigma]= 62.833820 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271181 meV Im[Sigma]= 66.295644 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542240 meV Im[Sigma]= 139.875116 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791120 meV Im[Sigma]= 142.168858 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -50.150954 meV Im[Sigma]= 56.782519 meV Z= 1.002270 lam= -0.002265
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.293555 meV Im[Sigma]= 53.591861 meV Z= 0.998183 lam= 0.001820
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.116632 meV Im[Sigma]= 163.388753 meV Z= 1.043013 lam= -0.041239
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.116632 meV Im[Sigma]= 163.388753 meV Z= 1.043013 lam= -0.041239
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814119 meV Im[Sigma]= 62.833823 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271172 meV Im[Sigma]= 66.295629 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542256 meV Im[Sigma]= 139.875077 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791124 meV Im[Sigma]= 142.168831 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644988 meV Im[Sigma]= 54.975641 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303666 meV Im[Sigma]= 56.546258 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025958 meV Im[Sigma]= 82.181512 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219351 meV Im[Sigma]= 82.343920 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.857893 meV Im[Sigma]= 72.855142 meV Z= 1.007834 lam= -0.007773
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.857893 meV Im[Sigma]= 72.855142 meV Z= 1.007834 lam= -0.007773
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.576514 meV Im[Sigma]= 66.119875 meV Z= 1.005549 lam= -0.005518
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.576514 meV Im[Sigma]= 66.119875 meV Z= 1.005549 lam= -0.005518
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644985 meV Im[Sigma]= 54.975625 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303694 meV Im[Sigma]= 56.546305 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025979 meV Im[Sigma]= 82.181509 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219358 meV Im[Sigma]= 82.343926 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814115 meV Im[Sigma]= 62.833805 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271192 meV Im[Sigma]= 66.295638 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542237 meV Im[Sigma]= 139.875104 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791143 meV Im[Sigma]= 142.168849 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814109 meV Im[Sigma]= 62.833825 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271166 meV Im[Sigma]= 66.295636 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542263 meV Im[Sigma]= 139.875083 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791116 meV Im[Sigma]= 142.168826 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905213 meV Im[Sigma]= 66.588519 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278984 meV Im[Sigma]= 55.619304 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179675 meV Im[Sigma]= 121.842976 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244406 meV Im[Sigma]= 157.409047 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161522 meV Im[Sigma]= 68.967979 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311518 meV Im[Sigma]= 58.424423 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468324 meV Im[Sigma]= 87.511730 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914644 meV Im[Sigma]= 143.209080 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644988 meV Im[Sigma]= 54.975619 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303666 meV Im[Sigma]= 56.546276 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025934 meV Im[Sigma]= 82.181484 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219352 meV Im[Sigma]= 82.343945 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331498 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331498 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447607 meV Im[Sigma]= 69.962682 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447607 meV Im[Sigma]= 69.962682 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763031 meV Im[Sigma]= 58.301555 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730053 meV Im[Sigma]= 62.713904 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163903 meV Im[Sigma]= 90.313843 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634485 meV Im[Sigma]= 104.629831 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644986 meV Im[Sigma]= 54.975632 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303665 meV Im[Sigma]= 56.546261 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025942 meV Im[Sigma]= 82.181502 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219352 meV Im[Sigma]= 82.343932 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161522 meV Im[Sigma]= 68.967980 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311519 meV Im[Sigma]= 58.424428 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468326 meV Im[Sigma]= 87.511749 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914642 meV Im[Sigma]= 143.209073 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905218 meV Im[Sigma]= 66.588519 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278974 meV Im[Sigma]= 55.619320 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179684 meV Im[Sigma]= 121.843039 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244408 meV Im[Sigma]= 157.409053 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814112 meV Im[Sigma]= 62.833803 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271175 meV Im[Sigma]= 66.295633 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542252 meV Im[Sigma]= 139.875082 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791147 meV Im[Sigma]= 142.168846 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763035 meV Im[Sigma]= 58.301554 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730053 meV Im[Sigma]= 62.713906 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163892 meV Im[Sigma]= 90.313842 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634483 meV Im[Sigma]= 104.629838 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331504 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447614 meV Im[Sigma]= 69.962683 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447614 meV Im[Sigma]= 69.962683 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -12.6700 eV Re[Sigma]= -25.857897 meV Im[Sigma]= 72.855144 meV Z= 1.007834 lam= -0.007773
|
|
E( 2 )= -12.6700 eV Re[Sigma]= -25.857897 meV Im[Sigma]= 72.855144 meV Z= 1.007834 lam= -0.007773
|
|
E( 3 )= -6.7479 eV Re[Sigma]= -1.576516 meV Im[Sigma]= 66.119869 meV Z= 1.005549 lam= -0.005518
|
|
E( 4 )= -6.7479 eV Re[Sigma]= -1.576516 meV Im[Sigma]= 66.119869 meV Z= 1.005549 lam= -0.005518
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644994 meV Im[Sigma]= 54.975627 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303674 meV Im[Sigma]= 56.546286 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025957 meV Im[Sigma]= 82.181499 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219352 meV Im[Sigma]= 82.343917 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814118 meV Im[Sigma]= 62.833798 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271184 meV Im[Sigma]= 66.295630 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542251 meV Im[Sigma]= 139.875101 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791152 meV Im[Sigma]= 142.168843 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.3937 eV Re[Sigma]= -50.150954 meV Im[Sigma]= 56.782518 meV Z= 1.002270 lam= -0.002265
|
|
E( 2 )= -14.3295 eV Re[Sigma]= 1.293547 meV Im[Sigma]= 53.591862 meV Z= 0.998183 lam= 0.001820
|
|
E( 3 )= -2.9337 eV Re[Sigma]= 56.116644 meV Im[Sigma]= 163.388777 meV Z= 1.043013 lam= -0.041239
|
|
E( 4 )= -2.9337 eV Re[Sigma]= 56.116644 meV Im[Sigma]= 163.388777 meV Z= 1.043013 lam= -0.041239
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814115 meV Im[Sigma]= 62.833828 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271185 meV Im[Sigma]= 66.295636 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542256 meV Im[Sigma]= 139.875103 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791124 meV Im[Sigma]= 142.168863 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644987 meV Im[Sigma]= 54.975639 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303693 meV Im[Sigma]= 56.546283 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025970 meV Im[Sigma]= 82.181513 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219360 meV Im[Sigma]= 82.343925 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644990 meV Im[Sigma]= 54.975623 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303696 meV Im[Sigma]= 56.546293 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025941 meV Im[Sigma]= 82.181462 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219390 meV Im[Sigma]= 82.343966 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777554 meV Im[Sigma]= 75.331505 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777554 meV Im[Sigma]= 75.331505 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447617 meV Im[Sigma]= 69.962680 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447617 meV Im[Sigma]= 69.962680 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763035 meV Im[Sigma]= 58.301552 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730059 meV Im[Sigma]= 62.713893 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163888 meV Im[Sigma]= 90.313840 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634489 meV Im[Sigma]= 104.629860 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814115 meV Im[Sigma]= 62.833809 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271183 meV Im[Sigma]= 66.295629 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542260 meV Im[Sigma]= 139.875072 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791130 meV Im[Sigma]= 142.168908 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905214 meV Im[Sigma]= 66.588512 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.279002 meV Im[Sigma]= 55.619301 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179671 meV Im[Sigma]= 121.843023 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244400 meV Im[Sigma]= 157.409060 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161530 meV Im[Sigma]= 68.967974 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311546 meV Im[Sigma]= 58.424447 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468347 meV Im[Sigma]= 87.511755 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914614 meV Im[Sigma]= 143.209077 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814116 meV Im[Sigma]= 62.833793 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271187 meV Im[Sigma]= 66.295636 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542249 meV Im[Sigma]= 139.875066 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791148 meV Im[Sigma]= 142.168877 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763037 meV Im[Sigma]= 58.301553 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730055 meV Im[Sigma]= 62.713898 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163882 meV Im[Sigma]= 90.313838 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634493 meV Im[Sigma]= 104.629858 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331510 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331510 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447625 meV Im[Sigma]= 69.962690 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447625 meV Im[Sigma]= 69.962690 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644987 meV Im[Sigma]= 54.975635 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303693 meV Im[Sigma]= 56.546268 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025948 meV Im[Sigma]= 82.181493 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219389 meV Im[Sigma]= 82.343963 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161531 meV Im[Sigma]= 68.967976 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311550 meV Im[Sigma]= 58.424447 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468349 meV Im[Sigma]= 87.511749 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914625 meV Im[Sigma]= 143.209106 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905220 meV Im[Sigma]= 66.588511 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278981 meV Im[Sigma]= 55.619327 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179678 meV Im[Sigma]= 121.843082 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244401 meV Im[Sigma]= 157.409062 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420335 meV Im[Sigma]= 43.251775 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158350 meV Im[Sigma]= 43.268372 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757805 meV Im[Sigma]= 139.788656 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757805 meV Im[Sigma]= 139.788656 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588509 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278985 meV Im[Sigma]= 55.619309 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179696 meV Im[Sigma]= 121.843018 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244409 meV Im[Sigma]= 157.409081 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704955 meV Im[Sigma]= 56.359699 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250731 meV Im[Sigma]= 60.804177 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219261 meV Im[Sigma]= 35.983620 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784061 meV Im[Sigma]= 129.065260 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644988 meV Im[Sigma]= 54.975628 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303679 meV Im[Sigma]= 56.546301 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.026003 meV Im[Sigma]= 82.181497 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219365 meV Im[Sigma]= 82.343935 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065570 meV Im[Sigma]= 47.361099 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980353 meV Im[Sigma]= 106.612460 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.752004 meV Im[Sigma]= 110.039225 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.752004 meV Im[Sigma]= 110.039225 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033975 meV Im[Sigma]= 43.185948 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587143 meV Im[Sigma]= 101.481767 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183760 meV Im[Sigma]= 160.794303 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753788 meV Im[Sigma]= 166.621140 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905214 meV Im[Sigma]= 66.588513 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278982 meV Im[Sigma]= 55.619318 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179683 meV Im[Sigma]= 121.843053 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244391 meV Im[Sigma]= 157.409051 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814108 meV Im[Sigma]= 62.833800 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271182 meV Im[Sigma]= 66.295624 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542249 meV Im[Sigma]= 139.875031 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791140 meV Im[Sigma]= 142.168864 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763028 meV Im[Sigma]= 58.301545 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730053 meV Im[Sigma]= 62.713891 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163883 meV Im[Sigma]= 90.313820 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634488 meV Im[Sigma]= 104.629853 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331497 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777551 meV Im[Sigma]= 75.331497 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447616 meV Im[Sigma]= 69.962676 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447616 meV Im[Sigma]= 69.962676 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644985 meV Im[Sigma]= 54.975630 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303688 meV Im[Sigma]= 56.546265 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025940 meV Im[Sigma]= 82.181482 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219389 meV Im[Sigma]= 82.343959 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161526 meV Im[Sigma]= 68.967973 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311544 meV Im[Sigma]= 58.424439 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468345 meV Im[Sigma]= 87.511759 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914618 meV Im[Sigma]= 143.209087 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704959 meV Im[Sigma]= 56.359696 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250726 meV Im[Sigma]= 60.804180 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219251 meV Im[Sigma]= 35.983633 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784067 meV Im[Sigma]= 129.065251 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763028 meV Im[Sigma]= 58.301545 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730043 meV Im[Sigma]= 62.713902 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163892 meV Im[Sigma]= 90.313836 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634481 meV Im[Sigma]= 104.629836 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704960 meV Im[Sigma]= 56.359696 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250727 meV Im[Sigma]= 60.804180 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219248 meV Im[Sigma]= 35.983633 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784066 meV Im[Sigma]= 129.065258 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763038 meV Im[Sigma]= 58.301552 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730050 meV Im[Sigma]= 62.713903 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163896 meV Im[Sigma]= 90.313836 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634489 meV Im[Sigma]= 104.629841 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704959 meV Im[Sigma]= 56.359697 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250728 meV Im[Sigma]= 60.804181 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219255 meV Im[Sigma]= 35.983632 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784069 meV Im[Sigma]= 129.065254 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763042 meV Im[Sigma]= 58.301556 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730047 meV Im[Sigma]= 62.713904 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163898 meV Im[Sigma]= 90.313844 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634489 meV Im[Sigma]= 104.629843 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644992 meV Im[Sigma]= 54.975625 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303703 meV Im[Sigma]= 56.546294 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025946 meV Im[Sigma]= 82.181480 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219390 meV Im[Sigma]= 82.343961 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777557 meV Im[Sigma]= 75.331505 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777557 meV Im[Sigma]= 75.331505 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447614 meV Im[Sigma]= 69.962678 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447614 meV Im[Sigma]= 69.962678 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763039 meV Im[Sigma]= 58.301554 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730059 meV Im[Sigma]= 62.713901 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163890 meV Im[Sigma]= 90.313842 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634492 meV Im[Sigma]= 104.629837 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814117 meV Im[Sigma]= 62.833816 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271187 meV Im[Sigma]= 66.295629 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542250 meV Im[Sigma]= 139.875103 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791120 meV Im[Sigma]= 142.168866 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905212 meV Im[Sigma]= 66.588513 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.279005 meV Im[Sigma]= 55.619304 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179668 meV Im[Sigma]= 121.843037 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244402 meV Im[Sigma]= 157.409056 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161528 meV Im[Sigma]= 68.967972 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311556 meV Im[Sigma]= 58.424454 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468347 meV Im[Sigma]= 87.511754 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914621 meV Im[Sigma]= 143.209086 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -17.3627 eV Re[Sigma]= -58.065570 meV Im[Sigma]= 47.361099 meV Z= 0.997273 lam= 0.002735
|
|
E( 2 )= -6.7571 eV Re[Sigma]= -15.980360 meV Im[Sigma]= 106.612473 meV Z= 1.007389 lam= -0.007335
|
|
E( 3 )= -5.2091 eV Re[Sigma]= 1.752004 meV Im[Sigma]= 110.039223 meV Z= 1.019339 lam= -0.018972
|
|
E( 4 )= -5.2091 eV Re[Sigma]= 1.752004 meV Im[Sigma]= 110.039223 meV Z= 1.019339 lam= -0.018972
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644980 meV Im[Sigma]= 54.975633 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303683 meV Im[Sigma]= 56.546289 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.026003 meV Im[Sigma]= 82.181495 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219357 meV Im[Sigma]= 82.343918 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.7470 eV Re[Sigma]= -38.704956 meV Im[Sigma]= 56.359699 meV Z= 1.001817 lam= -0.001813
|
|
E( 2 )= -10.6613 eV Re[Sigma]= -17.250732 meV Im[Sigma]= 60.804178 meV Z= 1.005322 lam= -0.005294
|
|
E( 3 )= -9.4560 eV Re[Sigma]= -0.219264 meV Im[Sigma]= 35.983619 meV Z= 0.992794 lam= 0.007259
|
|
E( 4 )= -4.5536 eV Re[Sigma]= 11.784066 meV Im[Sigma]= 129.065251 meV Z= 1.020887 lam= -0.020460
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905205 meV Im[Sigma]= 66.588509 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.279007 meV Im[Sigma]= 55.619293 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179685 meV Im[Sigma]= 121.843002 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244414 meV Im[Sigma]= 157.409071 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.3959 eV Re[Sigma]= -57.420303 meV Im[Sigma]= 43.251805 meV Z= 1.003883 lam= -0.003868
|
|
E( 2 )= -9.2172 eV Re[Sigma]= -17.158370 meV Im[Sigma]= 43.268386 meV Z= 0.991005 lam= 0.009077
|
|
E( 3 )= -2.0888 eV Re[Sigma]= 95.757814 meV Im[Sigma]= 139.788665 meV Z= 1.020210 lam= -0.019810
|
|
E( 4 )= -2.0888 eV Re[Sigma]= 95.757814 meV Im[Sigma]= 139.788665 meV Z= 1.020210 lam= -0.019810
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033962 meV Im[Sigma]= 43.185957 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587159 meV Im[Sigma]= 101.481774 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183763 meV Im[Sigma]= 160.794324 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753772 meV Im[Sigma]= 166.621140 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033970 meV Im[Sigma]= 43.185943 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587117 meV Im[Sigma]= 101.481789 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183747 meV Im[Sigma]= 160.794358 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753780 meV Im[Sigma]= 166.621141 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161525 meV Im[Sigma]= 68.967971 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311538 meV Im[Sigma]= 58.424445 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468343 meV Im[Sigma]= 87.511742 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914611 meV Im[Sigma]= 143.209139 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763030 meV Im[Sigma]= 58.301561 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730045 meV Im[Sigma]= 62.713909 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163934 meV Im[Sigma]= 90.313869 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634492 meV Im[Sigma]= 104.629839 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161523 meV Im[Sigma]= 68.967980 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311533 meV Im[Sigma]= 58.424443 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468348 meV Im[Sigma]= 87.511765 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914609 meV Im[Sigma]= 143.209123 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033957 meV Im[Sigma]= 43.185958 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587132 meV Im[Sigma]= 101.481796 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183752 meV Im[Sigma]= 160.794376 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753759 meV Im[Sigma]= 166.621131 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167667 meV Im[Sigma]= 35.373443 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989617 meV Im[Sigma]= 149.675849 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038783 meV Im[Sigma]= 162.391226 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494374 meV Im[Sigma]= 85.641446 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6565 eV Re[Sigma]= -66.888226 meV Im[Sigma]= 14.416765 meV Z= 0.996711 lam= 0.003300
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.711789 meV Im[Sigma]= 183.299450 meV Z= 1.046808 lam= -0.044715
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.777881 meV Im[Sigma]= 76.826291 meV Z= 1.003080 lam= -0.003071
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.777881 meV Im[Sigma]= 76.826291 meV Z= 1.003080 lam= -0.003071
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167670 meV Im[Sigma]= 35.373462 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989651 meV Im[Sigma]= 149.675749 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038792 meV Im[Sigma]= 162.391236 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494408 meV Im[Sigma]= 85.641478 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905214 meV Im[Sigma]= 66.588529 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278978 meV Im[Sigma]= 55.619300 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179678 meV Im[Sigma]= 121.842998 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244419 meV Im[Sigma]= 157.409083 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814111 meV Im[Sigma]= 62.833810 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271179 meV Im[Sigma]= 66.295638 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542243 meV Im[Sigma]= 139.875115 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791135 meV Im[Sigma]= 142.168858 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033968 meV Im[Sigma]= 43.185952 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587112 meV Im[Sigma]= 101.481772 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183752 meV Im[Sigma]= 160.794300 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753781 meV Im[Sigma]= 166.621191 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.102232 meV Im[Sigma]= 16.918759 meV Z= 0.995972 lam= 0.004044
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.867243 meV Im[Sigma]= 128.921029 meV Z= 1.008509 lam= -0.008438
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.963609 meV Im[Sigma]= 116.961985 meV Z= 1.006985 lam= -0.006937
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.963609 meV Im[Sigma]= 116.961985 meV Z= 1.006985 lam= -0.006937
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167668 meV Im[Sigma]= 35.373453 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989625 meV Im[Sigma]= 149.675798 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038790 meV Im[Sigma]= 162.391219 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494382 meV Im[Sigma]= 85.641451 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033966 meV Im[Sigma]= 43.185966 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587103 meV Im[Sigma]= 101.481774 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183758 meV Im[Sigma]= 160.794283 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753770 meV Im[Sigma]= 166.621102 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161519 meV Im[Sigma]= 68.967992 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311517 meV Im[Sigma]= 58.424427 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468336 meV Im[Sigma]= 87.511749 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914633 meV Im[Sigma]= 143.209097 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763027 meV Im[Sigma]= 58.301552 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730052 meV Im[Sigma]= 62.713910 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163915 meV Im[Sigma]= 90.313842 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634492 meV Im[Sigma]= 104.629840 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161527 meV Im[Sigma]= 68.967971 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311532 meV Im[Sigma]= 58.424434 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468354 meV Im[Sigma]= 87.511757 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914609 meV Im[Sigma]= 143.209116 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033958 meV Im[Sigma]= 43.185961 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587131 meV Im[Sigma]= 101.481764 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183757 meV Im[Sigma]= 160.794373 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753772 meV Im[Sigma]= 166.621131 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588515 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278991 meV Im[Sigma]= 55.619305 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179678 meV Im[Sigma]= 121.843007 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244412 meV Im[Sigma]= 157.409052 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161521 meV Im[Sigma]= 68.967980 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311521 meV Im[Sigma]= 58.424429 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468332 meV Im[Sigma]= 87.511760 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914637 meV Im[Sigma]= 143.209079 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644991 meV Im[Sigma]= 54.975625 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303670 meV Im[Sigma]= 56.546280 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025949 meV Im[Sigma]= 82.181491 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219358 meV Im[Sigma]= 82.343958 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777556 meV Im[Sigma]= 75.331509 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777556 meV Im[Sigma]= 75.331509 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447622 meV Im[Sigma]= 69.962690 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447622 meV Im[Sigma]= 69.962690 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763044 meV Im[Sigma]= 58.301557 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730054 meV Im[Sigma]= 62.713909 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163908 meV Im[Sigma]= 90.313846 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634498 meV Im[Sigma]= 104.629852 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814119 meV Im[Sigma]= 62.833811 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271173 meV Im[Sigma]= 66.295647 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542254 meV Im[Sigma]= 139.875101 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791132 meV Im[Sigma]= 142.168875 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814120 meV Im[Sigma]= 62.833790 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271200 meV Im[Sigma]= 66.295626 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542249 meV Im[Sigma]= 139.875075 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791147 meV Im[Sigma]= 142.168891 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763035 meV Im[Sigma]= 58.301549 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730058 meV Im[Sigma]= 62.713896 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163885 meV Im[Sigma]= 90.313841 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634493 meV Im[Sigma]= 104.629851 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -11.9767 eV Re[Sigma]= -22.777554 meV Im[Sigma]= 75.331513 meV Z= 1.012938 lam= -0.012773
|
|
E( 2 )= -11.9767 eV Re[Sigma]= -22.777554 meV Im[Sigma]= 75.331513 meV Z= 1.012938 lam= -0.012773
|
|
E( 3 )= -7.6378 eV Re[Sigma]= -9.447624 meV Im[Sigma]= 69.962687 meV Z= 1.011882 lam= -0.011743
|
|
E( 4 )= -7.6378 eV Re[Sigma]= -9.447624 meV Im[Sigma]= 69.962687 meV Z= 1.011882 lam= -0.011743
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -14.7539 eV Re[Sigma]= -33.644989 meV Im[Sigma]= 54.975639 meV Z= 1.000219 lam= -0.000219
|
|
E( 2 )= -10.1159 eV Re[Sigma]= -14.303714 meV Im[Sigma]= 56.546287 meV Z= 1.000487 lam= -0.000487
|
|
E( 3 )= -7.3620 eV Re[Sigma]= -9.025969 meV Im[Sigma]= 82.181489 meV Z= 1.017735 lam= -0.017426
|
|
E( 4 )= -5.8087 eV Re[Sigma]= -6.219392 meV Im[Sigma]= 82.343947 meV Z= 1.006745 lam= -0.006700
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161528 meV Im[Sigma]= 68.967968 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311572 meV Im[Sigma]= 58.424461 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468361 meV Im[Sigma]= 87.511741 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914606 meV Im[Sigma]= 143.209121 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905215 meV Im[Sigma]= 66.588502 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.279001 meV Im[Sigma]= 55.619322 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179679 meV Im[Sigma]= 121.843075 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244414 meV Im[Sigma]= 157.409083 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033963 meV Im[Sigma]= 43.185934 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587132 meV Im[Sigma]= 101.481821 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183744 meV Im[Sigma]= 160.794371 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753774 meV Im[Sigma]= 166.621140 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161521 meV Im[Sigma]= 68.967967 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311546 meV Im[Sigma]= 58.424449 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468348 meV Im[Sigma]= 87.511751 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914605 meV Im[Sigma]= 143.209123 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -13.5146 eV Re[Sigma]= -44.763033 meV Im[Sigma]= 58.301561 meV Z= 0.999777 lam= 0.000223
|
|
E( 2 )= -11.9136 eV Re[Sigma]= -2.730042 meV Im[Sigma]= 62.713910 meV Z= 1.008379 lam= -0.008309
|
|
E( 3 )= -7.5784 eV Re[Sigma]= -17.163933 meV Im[Sigma]= 90.313858 meV Z= 1.018659 lam= -0.018318
|
|
E( 4 )= -5.4111 eV Re[Sigma]= -0.634497 meV Im[Sigma]= 104.629837 meV Z= 1.019716 lam= -0.019335
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.3841 eV Re[Sigma]= -48.161523 meV Im[Sigma]= 68.967973 meV Z= 1.012312 lam= -0.012163
|
|
E( 2 )= -8.5864 eV Re[Sigma]= -26.311550 meV Im[Sigma]= 58.424453 meV Z= 0.994051 lam= 0.005985
|
|
E( 3 )= -7.0104 eV Re[Sigma]= -4.468360 meV Im[Sigma]= 87.511752 meV Z= 1.015617 lam= -0.015377
|
|
E( 4 )= -4.0915 eV Re[Sigma]= 25.914586 meV Im[Sigma]= 143.209126 meV Z= 1.027599 lam= -0.026858
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033950 meV Im[Sigma]= 43.185954 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587157 meV Im[Sigma]= 101.481785 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183746 meV Im[Sigma]= 160.794369 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753770 meV Im[Sigma]= 166.621199 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167656 meV Im[Sigma]= 35.373442 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989615 meV Im[Sigma]= 149.675881 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038784 meV Im[Sigma]= 162.391253 meV Z= 1.028827 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494377 meV Im[Sigma]= 85.641444 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.3785 eV Re[Sigma]= -67.102229 meV Im[Sigma]= 16.918758 meV Z= 0.995972 lam= 0.004044
|
|
E( 2 )= -1.6787 eV Re[Sigma]= 118.867240 meV Im[Sigma]= 128.921016 meV Z= 1.008509 lam= -0.008438
|
|
E( 3 )= -1.6770 eV Re[Sigma]= 112.963625 meV Im[Sigma]= 116.962001 meV Z= 1.006985 lam= -0.006937
|
|
E( 4 )= -1.6770 eV Re[Sigma]= 112.963625 meV Im[Sigma]= 116.962001 meV Z= 1.006985 lam= -0.006937
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -18.5799 eV Re[Sigma]= -60.033955 meV Im[Sigma]= 43.185965 meV Z= 1.007065 lam= -0.007016
|
|
E( 2 )= -6.8153 eV Re[Sigma]= -8.587133 meV Im[Sigma]= 101.481743 meV Z= 1.010313 lam= -0.010208
|
|
E( 3 )= -3.3726 eV Re[Sigma]= 47.183769 meV Im[Sigma]= 160.794319 meV Z= 1.029103 lam= -0.028280
|
|
E( 4 )= -2.6774 eV Re[Sigma]= 78.753784 meV Im[Sigma]= 166.621220 meV Z= 1.042399 lam= -0.040675
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -15.5807 eV Re[Sigma]= -40.814105 meV Im[Sigma]= 62.833826 meV Z= 1.005169 lam= -0.005142
|
|
E( 2 )= -12.3954 eV Re[Sigma]= -10.271165 meV Im[Sigma]= 66.295637 meV Z= 1.012022 lam= -0.011879
|
|
E( 3 )= -4.5402 eV Re[Sigma]= 13.542247 meV Im[Sigma]= 139.875132 meV Z= 1.023109 lam= -0.022587
|
|
E( 4 )= -3.9016 eV Re[Sigma]= 27.791123 meV Im[Sigma]= 142.168844 meV Z= 1.026498 lam= -0.025814
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -16.6834 eV Re[Sigma]= -52.905205 meV Im[Sigma]= 66.588521 meV Z= 1.014702 lam= -0.014489
|
|
E( 2 )= -10.6236 eV Re[Sigma]= -9.278971 meV Im[Sigma]= 55.619312 meV Z= 1.004844 lam= -0.004820
|
|
E( 3 )= -5.2837 eV Re[Sigma]= 0.179681 meV Im[Sigma]= 121.843077 meV Z= 1.022870 lam= -0.022359
|
|
E( 4 )= -2.6703 eV Re[Sigma]= 72.244410 meV Im[Sigma]= 157.409086 meV Z= 1.040257 lam= -0.038699
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -19.3208 eV Re[Sigma]= -67.167658 meV Im[Sigma]= 35.373461 meV Z= 1.001103 lam= -0.001102
|
|
E( 2 )= -5.1780 eV Re[Sigma]= 3.989652 meV Im[Sigma]= 149.675824 meV Z= 1.027827 lam= -0.027074
|
|
E( 3 )= -3.7366 eV Re[Sigma]= 40.038789 meV Im[Sigma]= 162.391230 meV Z= 1.028826 lam= -0.028019
|
|
E( 4 )= -0.9280 eV Re[Sigma]= 116.494392 meV Im[Sigma]= 85.641460 meV Z= 1.005605 lam= -0.005574
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 1 )= -20.6565 eV Re[Sigma]= -66.888222 meV Im[Sigma]= 14.416784 meV Z= 0.996711 lam= 0.003300
|
|
E( 2 )= -2.7023 eV Re[Sigma]= 87.711827 meV Im[Sigma]= 183.299560 meV Z= 1.046808 lam= -0.044715
|
|
E( 3 )= -0.4637 eV Re[Sigma]= 132.777858 meV Im[Sigma]= 76.826274 meV Z= 1.003080 lam= -0.003071
|
|
E( 4 )= -0.4637 eV Re[Sigma]= 132.777858 meV Im[Sigma]= 76.826274 meV Z= 1.003080 lam= -0.003071
|
|
-------------------------------------------------------------------
|
|
|
|
1 1 -21.5311 -64.1953 4.7621 0.9926 0.0074
|
|
2 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
3 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
4 1 -15.3937 -50.1510 56.7825 1.0023 -0.0023
|
|
5 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
6 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
7 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
8 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
9 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
10 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
11 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
12 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
13 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
14 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
15 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
16 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
17 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
18 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
19 1 -15.3937 -50.1510 56.7825 1.0023 -0.0023
|
|
20 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
21 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
22 1 -12.6700 -25.8579 72.8551 1.0078 -0.0078
|
|
23 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
24 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
25 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
26 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
27 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
28 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
29 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
30 1 -18.5799 -60.0340 43.1859 1.0071 -0.0070
|
|
31 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
32 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
33 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
34 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
35 1 -18.5799 -60.0340 43.1859 1.0071 -0.0070
|
|
36 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
37 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
38 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
39 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
40 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
41 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
42 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
43 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
44 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
45 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
46 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
47 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
48 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
49 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
50 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
51 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
52 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
53 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
54 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
55 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
56 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
57 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
58 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
59 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
60 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
61 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
62 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
63 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
64 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
65 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
66 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
67 1 -19.3208 -67.1677 35.3734 1.0011 -0.0011
|
|
68 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
69 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
70 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
71 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
72 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
73 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
74 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
75 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
76 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
77 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
78 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
79 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
80 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
81 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
82 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
83 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
84 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
85 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
86 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
87 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
88 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
89 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
90 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
91 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
92 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
93 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
94 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
95 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
96 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
97 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
98 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
99 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
100 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
101 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
102 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
103 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
104 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
105 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
106 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
107 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
108 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
109 1 -15.3937 -50.1510 56.7825 1.0023 -0.0023
|
|
110 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
111 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
112 1 -12.6700 -25.8579 72.8551 1.0078 -0.0078
|
|
113 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
114 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
115 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
116 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
117 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
118 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
119 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
120 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
121 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
122 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
123 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
124 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
125 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
126 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
127 1 -12.6700 -25.8579 72.8551 1.0078 -0.0078
|
|
128 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
129 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
130 1 -15.3937 -50.1510 56.7825 1.0023 -0.0023
|
|
131 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
132 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
133 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
134 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
135 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
136 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
137 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
138 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
139 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
140 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
141 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
142 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
143 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
144 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
145 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
146 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
147 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
148 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
149 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
150 1 -18.5799 -60.0340 43.1859 1.0071 -0.0070
|
|
151 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
152 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
153 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
154 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
155 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
156 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
157 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
158 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
159 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
160 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
161 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
162 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
163 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
164 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
165 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
166 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
167 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
168 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
169 1 -17.3627 -58.0656 47.3611 0.9973 0.0027
|
|
170 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
171 1 -13.7470 -38.7050 56.3597 1.0018 -0.0018
|
|
172 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
173 1 -18.3959 -57.4203 43.2518 1.0039 -0.0039
|
|
174 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
175 1 -18.5799 -60.0340 43.1859 1.0071 -0.0070
|
|
176 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
177 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
178 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
179 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
180 1 -19.3208 -67.1677 35.3734 1.0011 -0.0011
|
|
181 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
182 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
183 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
184 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
185 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
186 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
187 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
188 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
189 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
190 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
191 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
192 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
193 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
194 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
195 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
196 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
197 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
198 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
199 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
200 1 -13.5146 -44.7630 58.3015 0.9998 0.0002
|
|
201 1 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
202 1 -14.7539 -33.6450 54.9756 1.0002 -0.0002
|
|
203 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
204 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
205 1 -18.5799 -60.0340 43.1859 1.0071 -0.0070
|
|
206 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
207 1 -13.5146 -44.7630 58.3016 0.9998 0.0002
|
|
208 1 -16.3841 -48.1615 68.9680 1.0123 -0.0122
|
|
209 1 -18.5799 -60.0339 43.1860 1.0071 -0.0070
|
|
210 1 -19.3208 -67.1677 35.3734 1.0011 -0.0011
|
|
211 1 -20.3785 -67.1022 16.9188 0.9960 0.0040
|
|
212 1 -18.5799 -60.0340 43.1860 1.0071 -0.0070
|
|
213 1 -15.5807 -40.8141 62.8338 1.0052 -0.0051
|
|
214 1 -16.6834 -52.9052 66.5885 1.0147 -0.0145
|
|
215 1 -19.3208 -67.1677 35.3735 1.0011 -0.0011
|
|
216 1 -20.6565 -66.8882 14.4168 0.9967 0.0033
|
|
|
|
1 2 0.3164 142.7245 40.6471 0.9827 0.0176
|
|
2 2 -2.7023 87.7118 183.2995 1.0468 -0.0447
|
|
3 2 -9.2172 -17.1583 43.2684 0.9910 0.0091
|
|
4 2 -14.3295 1.2936 53.5919 0.9982 0.0018
|
|
5 2 -9.2172 -17.1583 43.2684 0.9910 0.0091
|
|
6 2 -2.7023 87.7118 183.2994 1.0468 -0.0447
|
|
7 2 -2.7023 87.7118 183.2995 1.0468 -0.0447
|
|
8 2 -1.6787 118.8672 128.9210 1.0085 -0.0084
|
|
9 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
10 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
11 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
12 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
13 2 -9.2172 -17.1583 43.2684 0.9910 0.0091
|
|
14 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
15 2 -6.7571 -15.9803 106.6125 1.0074 -0.0073
|
|
16 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
17 2 -10.6613 -17.2507 60.8042 1.0053 -0.0053
|
|
18 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
19 2 -14.3295 1.2935 53.5919 0.9982 0.0018
|
|
20 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
21 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
22 2 -12.6700 -25.8579 72.8551 1.0078 -0.0078
|
|
23 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
24 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
25 2 -9.2172 -17.1584 43.2684 0.9910 0.0091
|
|
26 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
27 2 -10.6613 -17.2507 60.8042 1.0053 -0.0053
|
|
28 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
29 2 -6.7571 -15.9804 106.6125 1.0074 -0.0073
|
|
30 2 -6.8153 -8.5872 101.4818 1.0103 -0.0102
|
|
31 2 -2.7023 87.7118 183.2995 1.0468 -0.0447
|
|
32 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
33 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
34 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
35 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
36 2 -1.6787 118.8673 128.9210 1.0085 -0.0084
|
|
37 2 -2.7023 87.7118 183.2995 1.0468 -0.0447
|
|
38 2 -1.6787 118.8672 128.9210 1.0085 -0.0084
|
|
39 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
40 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
41 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
42 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
43 2 -1.6787 118.8672 128.9210 1.0085 -0.0084
|
|
44 2 -2.7023 87.7118 183.2995 1.0468 -0.0447
|
|
45 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
46 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
47 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
48 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
49 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
50 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
51 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
52 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
53 2 -11.9136 -2.7300 62.7139 1.0084 -0.0083
|
|
54 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
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|
56 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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|
57 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
58 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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|
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|
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|
|
68 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
69 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
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|
|
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|
|
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|
|
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79 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
80 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
81 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
82 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
83 2 -11.9136 -2.7300 62.7139 1.0084 -0.0083
|
|
84 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
85 2 -6.7571 -15.9803 106.6125 1.0074 -0.0073
|
|
86 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
87 2 -9.2172 -17.1583 43.2684 0.9910 0.0091
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|
88 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
89 2 -10.6613 -17.2507 60.8042 1.0053 -0.0053
|
|
90 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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|
91 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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|
92 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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|
93 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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|
94 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
95 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
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96 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
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103 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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104 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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105 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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106 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
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|
|
108 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
109 2 -14.3295 1.2936 53.5919 0.9982 0.0018
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|
110 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
111 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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112 2 -12.6700 -25.8579 72.8551 1.0078 -0.0078
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113 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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114 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
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117 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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118 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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119 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
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120 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
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121 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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122 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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123 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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124 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
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126 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
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127 2 -12.6700 -25.8579 72.8551 1.0078 -0.0078
|
|
128 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
129 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
130 2 -14.3295 1.2935 53.5919 0.9982 0.0018
|
|
131 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
132 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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|
133 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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134 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
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135 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
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136 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
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137 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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138 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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139 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
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140 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
|
|
141 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
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142 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
143 2 -8.5864 -26.3116 58.4244 0.9941 0.0060
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144 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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145 2 -9.2172 -17.1583 43.2684 0.9910 0.0091
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147 2 -10.6613 -17.2507 60.8042 1.0053 -0.0053
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148 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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150 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
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152 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
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154 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
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155 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
156 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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157 2 -10.6613 -17.2507 60.8042 1.0053 -0.0053
|
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158 2 -11.9136 -2.7300 62.7139 1.0084 -0.0083
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163 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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165 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
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166 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
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167 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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168 2 -8.5864 -26.3116 58.4245 0.9941 0.0060
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169 2 -6.7571 -15.9804 106.6125 1.0074 -0.0073
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170 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
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172 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
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173 2 -9.2172 -17.1584 43.2684 0.9910 0.0091
|
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174 2 -6.8153 -8.5872 101.4818 1.0103 -0.0102
|
|
175 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
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176 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
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177 2 -11.9136 -2.7300 62.7139 1.0084 -0.0083
|
|
178 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
179 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
180 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
181 2 -2.7023 87.7118 183.2994 1.0468 -0.0447
|
|
182 2 -5.1780 3.9897 149.6757 1.0278 -0.0271
|
|
183 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
184 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
185 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
186 2 -1.6787 118.8672 128.9210 1.0085 -0.0084
|
|
187 2 -5.1780 3.9896 149.6758 1.0278 -0.0271
|
|
188 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
189 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
190 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
|
|
191 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
192 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
193 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
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|
194 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
195 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
196 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
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|
|
198 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
199 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
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200 2 -11.9136 -2.7301 62.7139 1.0084 -0.0083
|
|
201 2 -11.9767 -22.7776 75.3315 1.0129 -0.0128
|
|
202 2 -10.1159 -14.3037 56.5463 1.0005 -0.0005
|
|
203 2 -8.5864 -26.3116 58.4245 0.9941 0.0060
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|
205 2 -6.8153 -8.5871 101.4818 1.0103 -0.0102
|
|
206 2 -8.5864 -26.3115 58.4244 0.9941 0.0060
|
|
207 2 -11.9136 -2.7300 62.7139 1.0084 -0.0083
|
|
208 2 -8.5864 -26.3116 58.4245 0.9941 0.0060
|
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|
|
210 2 -5.1780 3.9896 149.6759 1.0278 -0.0271
|
|
211 2 -1.6787 118.8672 128.9210 1.0085 -0.0084
|
|
212 2 -6.8153 -8.5871 101.4817 1.0103 -0.0102
|
|
213 2 -12.3954 -10.2712 66.2956 1.0120 -0.0119
|
|
214 2 -10.6236 -9.2790 55.6193 1.0048 -0.0048
|
|
215 2 -5.1780 3.9897 149.6758 1.0278 -0.0271
|
|
216 2 -2.7023 87.7118 183.2996 1.0468 -0.0447
|
|
|
|
1 3 0.3164 142.7245 40.6471 0.9827 0.0176
|
|
2 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
3 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
4 3 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
5 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
6 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
7 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
8 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
9 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
10 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
11 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
12 3 -3.7366 40.0388 162.3913 1.0288 -0.0280
|
|
13 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
14 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
15 3 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
16 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
17 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
18 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
19 3 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
20 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
21 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
22 3 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
23 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
24 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
25 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
26 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
27 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
28 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
29 3 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
30 3 -3.3726 47.1838 160.7944 1.0291 -0.0283
|
|
31 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
32 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
33 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
34 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
35 3 -3.3726 47.1838 160.7944 1.0291 -0.0283
|
|
36 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
37 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
38 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
39 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
40 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
41 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
42 3 -3.7366 40.0388 162.3913 1.0288 -0.0280
|
|
43 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
44 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
45 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
46 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
47 3 -4.5402 13.5422 139.8750 1.0231 -0.0226
|
|
48 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
49 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
50 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
51 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
52 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
|
|
53 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
54 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
55 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
56 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
57 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
58 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
59 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
60 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
61 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
62 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
63 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
64 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
65 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
66 3 -7.0104 -4.4684 87.5118 1.0156 -0.0154
|
|
67 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
68 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
69 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
70 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
71 3 -7.0104 -4.4684 87.5118 1.0156 -0.0154
|
|
72 3 -3.3726 47.1838 160.7944 1.0291 -0.0283
|
|
73 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
74 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
75 3 -5.2091 1.7521 110.0392 1.0193 -0.0190
|
|
76 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
77 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
78 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
79 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
80 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
81 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
82 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
|
|
83 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
84 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
85 3 -5.2091 1.7521 110.0392 1.0193 -0.0190
|
|
86 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
87 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
88 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
89 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
90 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
91 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
92 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
93 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
94 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
95 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
96 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
97 3 -9.4560 -0.2192 35.9836 0.9928 0.0073
|
|
98 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
99 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
100 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
101 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
102 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
103 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
104 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
|
|
105 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
106 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
107 3 -7.5784 -17.1639 90.3139 1.0187 -0.0183
|
|
108 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
109 3 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
110 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
111 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
112 3 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
113 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
114 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
115 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
116 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
117 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
118 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
119 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
120 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
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|
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|
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|
|
123 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
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|
|
125 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
126 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
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|
127 3 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
128 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
129 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
130 3 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
131 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
132 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
133 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
134 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
135 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
136 3 -4.5402 13.5423 139.8751 1.0231 -0.0226
|
|
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|
|
138 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
|
|
139 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
140 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
|
141 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
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|
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|
|
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|
|
144 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
145 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
146 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
147 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
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|
|
149 3 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
150 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
151 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
152 3 -4.5402 13.5422 139.8750 1.0231 -0.0226
|
|
153 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
|
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154 3 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
155 3 -7.3620 -9.0259 82.1815 1.0177 -0.0174
|
|
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|
|
157 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
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160 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
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161 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
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167 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
168 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
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169 3 -5.2091 1.7520 110.0392 1.0193 -0.0190
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|
170 3 -7.3620 -9.0260 82.1815 1.0177 -0.0174
|
|
171 3 -9.4560 -0.2193 35.9836 0.9928 0.0073
|
|
172 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
173 3 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
174 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
175 3 -3.3726 47.1837 160.7944 1.0291 -0.0283
|
|
176 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
|
|
177 3 -7.5784 -17.1639 90.3139 1.0187 -0.0183
|
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178 3 -7.0104 -4.4683 87.5118 1.0156 -0.0154
|
|
179 3 -3.3726 47.1838 160.7944 1.0291 -0.0283
|
|
180 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
181 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
182 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
183 3 -5.2837 0.1797 121.8430 1.0229 -0.0224
|
|
184 3 -4.5402 13.5422 139.8751 1.0231 -0.0226
|
|
185 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
186 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
187 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
188 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
189 3 -7.0104 -4.4683 87.5117 1.0156 -0.0154
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|
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|
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|
|
192 3 -3.3726 47.1838 160.7944 1.0291 -0.0283
|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
|
200 3 -7.5784 -17.1639 90.3138 1.0187 -0.0183
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
|
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|
|
211 3 -1.6770 112.9636 116.9620 1.0070 -0.0069
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|
212 3 -3.3726 47.1838 160.7943 1.0291 -0.0283
|
|
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|
|
214 3 -5.2837 0.1797 121.8431 1.0229 -0.0224
|
|
215 3 -3.7366 40.0388 162.3912 1.0288 -0.0280
|
|
216 3 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
|
|
1 4 0.3164 142.7245 40.6471 0.9827 0.0176
|
|
2 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
3 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
4 4 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
5 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
6 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
7 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
8 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
9 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
10 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
11 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
12 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
13 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
14 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
15 4 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
16 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
17 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
18 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
19 4 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
20 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
21 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
22 4 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
23 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
24 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
25 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
26 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
27 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
28 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
29 4 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
30 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
31 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
32 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
33 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
34 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
35 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
36 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
37 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
38 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
39 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
40 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
41 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
42 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
43 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
44 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
45 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
46 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
47 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
48 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
49 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
50 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
51 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
52 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
53 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
54 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
55 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
56 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
57 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
58 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
59 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
60 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
61 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
62 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
63 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
64 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
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65 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
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66 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
67 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
68 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
69 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
70 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
71 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
72 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
73 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
74 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
75 4 -5.2091 1.7521 110.0392 1.0193 -0.0190
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|
76 4 -5.8087 -6.2193 82.3439 1.0067 -0.0067
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|
77 4 -4.5536 11.7841 129.0652 1.0209 -0.0205
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|
78 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
79 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
80 4 -0.9280 116.4944 85.6414 1.0056 -0.0056
|
|
81 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
82 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
83 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
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|
|
85 4 -5.2091 1.7521 110.0392 1.0193 -0.0190
|
|
86 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
87 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
88 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
89 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
90 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
91 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
92 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
93 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
94 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
95 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
96 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
97 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
98 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
99 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
100 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
101 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
102 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
103 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
104 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
105 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
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|
|
107 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
108 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
109 4 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
110 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
111 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
112 4 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
113 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
114 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
115 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
116 4 -2.6703 72.2444 157.4090 1.0403 -0.0387
|
|
117 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
118 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
119 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
120 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
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|
|
122 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
123 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
124 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
125 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
126 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
127 4 -6.7479 -1.5765 66.1199 1.0055 -0.0055
|
|
128 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
129 4 -3.9016 27.7912 142.1688 1.0265 -0.0258
|
|
130 4 -2.9337 56.1166 163.3888 1.0430 -0.0412
|
|
131 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
132 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
133 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
134 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
135 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
136 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
137 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
138 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
139 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
140 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
141 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
142 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
143 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
144 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
145 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
146 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
147 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
148 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
149 4 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
150 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
151 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
152 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
153 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
154 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
155 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
156 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
157 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
158 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
159 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
160 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
161 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
162 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
163 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
164 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
165 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
166 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
167 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
168 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
169 4 -5.2091 1.7520 110.0392 1.0193 -0.0190
|
|
170 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
171 4 -4.5536 11.7841 129.0653 1.0209 -0.0205
|
|
172 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
173 4 -2.0888 95.7578 139.7887 1.0202 -0.0198
|
|
174 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
175 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
176 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
177 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
178 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
179 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
180 4 -0.9280 116.4944 85.6414 1.0056 -0.0056
|
|
181 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
182 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
183 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
184 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
185 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
186 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
187 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
188 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
189 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
190 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
191 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
192 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
193 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
194 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
195 4 -5.8087 -6.2194 82.3440 1.0067 -0.0067
|
|
196 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
197 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
198 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
199 4 -3.9016 27.7911 142.1689 1.0265 -0.0258
|
|
200 4 -5.4111 -0.6345 104.6299 1.0197 -0.0193
|
|
201 4 -7.6378 -9.4476 69.9627 1.0119 -0.0117
|
|
202 4 -5.8087 -6.2194 82.3439 1.0067 -0.0067
|
|
203 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
204 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
205 4 -2.6774 78.7538 166.6211 1.0424 -0.0407
|
|
206 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
207 4 -5.4111 -0.6345 104.6298 1.0197 -0.0193
|
|
208 4 -4.0915 25.9146 143.2091 1.0276 -0.0269
|
|
209 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
210 4 -0.9280 116.4944 85.6414 1.0056 -0.0056
|
|
211 4 -1.6770 112.9636 116.9620 1.0070 -0.0069
|
|
212 4 -2.6774 78.7538 166.6212 1.0424 -0.0407
|
|
213 4 -3.9016 27.7911 142.1688 1.0265 -0.0258
|
|
214 4 -2.6703 72.2444 157.4091 1.0403 -0.0387
|
|
215 4 -0.9280 116.4944 85.6415 1.0056 -0.0056
|
|
216 4 -0.4637 132.7779 76.8263 1.0031 -0.0031
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 22Mb
|
|
VmPeak = 299Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
init_vloc : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
init_us_1 : 0.01s CPU 0.01s WALL ( 1 calls)
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 9.67s CPU 9.90s WALL ( 1 calls)
|
|
ep-interp : 8.90s CPU 9.13s WALL ( 216 calls)
|
|
|
|
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
|
|
ep: step 1 : 0.00s CPU 0.00s WALL ( 162 calls)
|
|
ep: step 2 : 0.06s CPU 0.06s WALL ( 162 calls)
|
|
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
|
|
HamW2B : 0.59s CPU 0.60s WALL ( 93960 calls)
|
|
ephW2Bp : 0.93s CPU 1.06s WALL ( 216 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 9.76s CPU 10.00s WALL
|
|
|
|
|
|
Please consider citing:
|
|
S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
|
|
|
|
In addition, if you used anisotropic Eliashberg superconductivity please cite:
|
|
E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013)
|
|
if you used transport properties (scattering rates, mobility) please cite:
|
|
S. Ponce, E. R. Margine and F. Giustino, Phys. Rev. B 97, 121201 (2018)
|