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[[30539,1],0]: A high-performance Open MPI point-to-point messaging module
was unable to find any relevant network interfaces:
Module: OpenFabrics (openib)
Host: magneto
Another transport will be used instead, although this may result in
lower performance.
--------------------------------------------------------------------------
Program EPW v.4.0.0 (svn rev. 11681) starts on 20Aug2015 at 15:45:34
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 8 processors
K-points division: npool = 8
Reading data from directory:
./diam.save
Info: using nr1, nr2, nr3 values from input
Info: using nr1, nr2, nr3 values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
file C_3.98148.UPF: wavefunction(s) 3d renormalized
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 367 367 127 4645 4645 965
Possibly too few bands at point 2 -0.16667 0.16667 -0.16667
Possibly too few bands at point 3 -0.33333 0.33333 -0.33333
Possibly too few bands at point 4 -0.50000 0.50000 -0.50000
Possibly too few bands at point 5 -0.66667 0.66667 -0.66667
Possibly too few bands at point 6 -0.83333 0.83333 -0.83333
Possibly too few bands at point 7 0.16667 0.16667 0.16667
Possibly too few bands at point 8 0.00000 0.33333 0.00000
Possibly too few bands at point 9 -0.16667 0.50000 -0.16667
Possibly too few bands at point 10 -0.33333 0.66667 -0.33333
Possibly too few bands at point 11 -0.50000 0.83333 -0.50000
Possibly too few bands at point 12 -0.66667 1.00000 -0.66667
Possibly too few bands at point 13 0.33333 0.33333 0.33333
Possibly too few bands at point 14 0.16667 0.50000 0.16667
Possibly too few bands at point 15 0.00000 0.66667 0.00000
Possibly too few bands at point 16 -0.16667 0.83333 -0.16667
Possibly too few bands at point 17 -0.33333 1.00000 -0.33333
Possibly too few bands at point 18 -0.50000 1.16667 -0.50000
Possibly too few bands at point 19 0.50000 0.50000 0.50000
Possibly too few bands at point 20 0.33333 0.66667 0.33333
Possibly too few bands at point 21 0.16667 0.83333 0.16667
Possibly too few bands at point 22 0.00000 1.00000 0.00000
Possibly too few bands at point 23 -0.16667 1.16667 -0.16667
Possibly too few bands at point 24 -0.33333 1.33333 -0.33333
Possibly too few bands at point 25 0.66667 0.66667 0.66667
Possibly too few bands at point 26 0.50000 0.83333 0.50000
Possibly too few bands at point 27 0.33333 1.00000 0.33333
--
bravais-lattice index = 2
lattice parameter (a_0) = 6.6425 a.u.
unit-cell volume = 73.2698 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 1
kinetic-energy cut-off = 60.0000 Ry
charge density cut-off = 240.0000 Ry
convergence threshold = 0.0E+00
beta = 0.0000
number of iterations used = 0
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
celldm(1)= 6.64245 celldm(2)= 0.00000 celldm(3)= 0.00000
celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( -0.5000 0.0000 0.5000 )
a(2) = ( 0.0000 0.5000 0.5000 )
a(3) = ( -0.5000 0.5000 0.0000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( -1.0000 -1.0000 1.0000 )
b(2) = ( 1.0000 1.0000 1.0000 )
b(3) = ( -1.0000 1.0000 -1.0000 )
Atoms inside the unit cell:
Cartesian axes
site n. atom mass positions (a_0 units)
1 C 12.0118 tau( 1) = ( 0.00000 0.00000 0.00000 )
2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 )
49 Sym.Ops. (with q -> -q+G )
G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24)
number of k points= 216 gaussian broad. (Ry)= 0.0200 ngauss = 1
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0092593
k( 2) = ( -0.1666667 0.1666667 -0.1666667), wk = 0.0092593
k( 3) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0092593
k( 4) = ( -0.5000000 0.5000000 -0.5000000), wk = 0.0092593
k( 5) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0092593
k( 6) = ( -0.8333333 0.8333333 -0.8333333), wk = 0.0092593
k( 7) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0092593
k( 8) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0092593
k( 9) = ( -0.1666667 0.5000000 -0.1666667), wk = 0.0092593
k( 10) = ( -0.3333333 0.6666667 -0.3333333), wk = 0.0092593
k( 11) = ( -0.5000000 0.8333333 -0.5000000), wk = 0.0092593
k( 12) = ( -0.6666667 1.0000000 -0.6666667), wk = 0.0092593
k( 13) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0092593
k( 14) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0092593
k( 15) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0092593
k( 16) = ( -0.1666667 0.8333333 -0.1666667), wk = 0.0092593
k( 17) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0092593
k( 18) = ( -0.5000000 1.1666667 -0.5000000), wk = 0.0092593
k( 19) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0092593
k( 20) = ( 0.3333333 0.6666667 0.3333333), wk = 0.0092593
k( 21) = ( 0.1666667 0.8333333 0.1666667), wk = 0.0092593
k( 22) = ( 0.0000000 1.0000000 0.0000000), wk = 0.0092593
k( 23) = ( -0.1666667 1.1666667 -0.1666667), wk = 0.0092593
k( 24) = ( -0.3333333 1.3333333 -0.3333333), wk = 0.0092593
k( 25) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0092593
k( 26) = ( 0.5000000 0.8333333 0.5000000), wk = 0.0092593
k( 27) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0092593
k( 28) = ( 0.1666667 1.1666667 0.1666667), wk = 0.0092593
k( 29) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0092593
k( 30) = ( -0.1666667 1.5000000 -0.1666667), wk = 0.0092593
k( 31) = ( 0.8333333 0.8333333 0.8333333), wk = 0.0092593
k( 32) = ( 0.6666667 1.0000000 0.6666667), wk = 0.0092593
k( 33) = ( 0.5000000 1.1666667 0.5000000), wk = 0.0092593
k( 34) = ( 0.3333333 1.3333333 0.3333333), wk = 0.0092593
k( 35) = ( 0.1666667 1.5000000 0.1666667), wk = 0.0092593
k( 36) = ( 0.0000000 1.6666667 0.0000000), wk = 0.0092593
k( 37) = ( -0.1666667 -0.1666667 0.1666667), wk = 0.0092593
k( 38) = ( -0.3333333 0.0000000 0.0000000), wk = 0.0092593
k( 39) = ( -0.5000000 0.1666667 -0.1666667), wk = 0.0092593
k( 40) = ( -0.6666667 0.3333333 -0.3333333), wk = 0.0092593
k( 41) = ( -0.8333333 0.5000000 -0.5000000), wk = 0.0092593
k( 42) = ( -1.0000000 0.6666667 -0.6666667), wk = 0.0092593
k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0092593
k( 44) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0092593
k( 45) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0092593
k( 46) = ( -0.5000000 0.5000000 -0.1666667), wk = 0.0092593
k( 47) = ( -0.6666667 0.6666667 -0.3333333), wk = 0.0092593
k( 48) = ( -0.8333333 0.8333333 -0.5000000), wk = 0.0092593
k( 49) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0092593
k( 50) = ( -0.0000000 0.3333333 0.3333333), wk = 0.0092593
k( 51) = ( -0.1666667 0.5000000 0.1666667), wk = 0.0092593
k( 52) = ( -0.3333333 0.6666667 0.0000000), wk = 0.0092593
k( 53) = ( -0.5000000 0.8333333 -0.1666667), wk = 0.0092593
k( 54) = ( -0.6666667 1.0000000 -0.3333333), wk = 0.0092593
k( 55) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0092593
k( 56) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0092593
k( 57) = ( 0.0000000 0.6666667 0.3333333), wk = 0.0092593
k( 58) = ( -0.1666667 0.8333333 0.1666667), wk = 0.0092593
k( 59) = ( -0.3333333 1.0000000 0.0000000), wk = 0.0092593
k( 60) = ( -0.5000000 1.1666667 -0.1666667), wk = 0.0092593
k( 61) = ( 0.5000000 0.5000000 0.8333333), wk = 0.0092593
k( 62) = ( 0.3333333 0.6666667 0.6666667), wk = 0.0092593
k( 63) = ( 0.1666667 0.8333333 0.5000000), wk = 0.0092593
k( 64) = ( 0.0000000 1.0000000 0.3333333), wk = 0.0092593
k( 65) = ( -0.1666667 1.1666667 0.1666667), wk = 0.0092593
k( 66) = ( -0.3333333 1.3333333 0.0000000), wk = 0.0092593
k( 67) = ( 0.6666667 0.6666667 1.0000000), wk = 0.0092593
k( 68) = ( 0.5000000 0.8333333 0.8333333), wk = 0.0092593
k( 69) = ( 0.3333333 1.0000000 0.6666667), wk = 0.0092593
k( 70) = ( 0.1666667 1.1666667 0.5000000), wk = 0.0092593
k( 71) = ( -0.0000000 1.3333333 0.3333333), wk = 0.0092593
k( 72) = ( -0.1666667 1.5000000 0.1666667), wk = 0.0092593
k( 73) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0092593
k( 74) = ( -0.5000000 -0.1666667 0.1666667), wk = 0.0092593
k( 75) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0092593
k( 76) = ( -0.8333333 0.1666667 -0.1666667), wk = 0.0092593
k( 77) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0092593
k( 78) = ( -1.1666667 0.5000000 -0.5000000), wk = 0.0092593
k( 79) = ( -0.1666667 -0.1666667 0.5000000), wk = 0.0092593
k( 80) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0092593
k( 81) = ( -0.5000000 0.1666667 0.1666667), wk = 0.0092593
k( 82) = ( -0.6666667 0.3333333 0.0000000), wk = 0.0092593
k( 83) = ( -0.8333333 0.5000000 -0.1666667), wk = 0.0092593
k( 84) = ( -1.0000000 0.6666667 -0.3333333), wk = 0.0092593
k( 85) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0092593
k( 86) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0092593
k( 87) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0092593
k( 88) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0092593
k( 89) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0092593
k( 90) = ( -0.8333333 0.8333333 -0.1666667), wk = 0.0092593
k( 91) = ( 0.1666667 0.1666667 0.8333333), wk = 0.0092593
k( 92) = ( 0.0000000 0.3333333 0.6666667), wk = 0.0092593
k( 93) = ( -0.1666667 0.5000000 0.5000000), wk = 0.0092593
k( 94) = ( -0.3333333 0.6666667 0.3333333), wk = 0.0092593
k( 95) = ( -0.5000000 0.8333333 0.1666667), wk = 0.0092593
k( 96) = ( -0.6666667 1.0000000 0.0000000), wk = 0.0092593
k( 97) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0092593
k( 98) = ( 0.1666667 0.5000000 0.8333333), wk = 0.0092593
k( 99) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0092593
k( 100) = ( -0.1666667 0.8333333 0.5000000), wk = 0.0092593
k( 101) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0092593
k( 102) = ( -0.5000000 1.1666667 0.1666667), wk = 0.0092593
k( 103) = ( 0.5000000 0.5000000 1.1666667), wk = 0.0092593
k( 104) = ( 0.3333333 0.6666667 1.0000000), wk = 0.0092593
k( 105) = ( 0.1666667 0.8333333 0.8333333), wk = 0.0092593
k( 106) = ( 0.0000000 1.0000000 0.6666667), wk = 0.0092593
k( 107) = ( -0.1666667 1.1666667 0.5000000), wk = 0.0092593
k( 108) = ( -0.3333333 1.3333333 0.3333333), wk = 0.0092593
k( 109) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0092593
k( 110) = ( -0.6666667 -0.3333333 0.3333333), wk = 0.0092593
k( 111) = ( -0.8333333 -0.1666667 0.1666667), wk = 0.0092593
k( 112) = ( -1.0000000 0.0000000 0.0000000), wk = 0.0092593
k( 113) = ( -1.1666667 0.1666667 -0.1666667), wk = 0.0092593
k( 114) = ( -1.3333333 0.3333333 -0.3333333), wk = 0.0092593
k( 115) = ( -0.3333333 -0.3333333 0.6666667), wk = 0.0092593
k( 116) = ( -0.5000000 -0.1666667 0.5000000), wk = 0.0092593
k( 117) = ( -0.6666667 0.0000000 0.3333333), wk = 0.0092593
k( 118) = ( -0.8333333 0.1666667 0.1666667), wk = 0.0092593
k( 119) = ( -1.0000000 0.3333333 0.0000000), wk = 0.0092593
k( 120) = ( -1.1666667 0.5000000 -0.1666667), wk = 0.0092593
k( 121) = ( -0.1666667 -0.1666667 0.8333333), wk = 0.0092593
k( 122) = ( -0.3333333 -0.0000000 0.6666667), wk = 0.0092593
k( 123) = ( -0.5000000 0.1666667 0.5000000), wk = 0.0092593
k( 124) = ( -0.6666667 0.3333333 0.3333333), wk = 0.0092593
k( 125) = ( -0.8333333 0.5000000 0.1666667), wk = 0.0092593
k( 126) = ( -1.0000000 0.6666667 0.0000000), wk = 0.0092593
k( 127) = ( 0.0000000 0.0000000 1.0000000), wk = 0.0092593
k( 128) = ( -0.1666667 0.1666667 0.8333333), wk = 0.0092593
k( 129) = ( -0.3333333 0.3333333 0.6666667), wk = 0.0092593
k( 130) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0092593
k( 131) = ( -0.6666667 0.6666667 0.3333333), wk = 0.0092593
k( 132) = ( -0.8333333 0.8333333 0.1666667), wk = 0.0092593
k( 133) = ( 0.1666667 0.1666667 1.1666667), wk = 0.0092593
k( 134) = ( 0.0000000 0.3333333 1.0000000), wk = 0.0092593
k( 135) = ( -0.1666667 0.5000000 0.8333333), wk = 0.0092593
k( 136) = ( -0.3333333 0.6666667 0.6666667), wk = 0.0092593
k( 137) = ( -0.5000000 0.8333333 0.5000000), wk = 0.0092593
k( 138) = ( -0.6666667 1.0000000 0.3333333), wk = 0.0092593
k( 139) = ( 0.3333333 0.3333333 1.3333333), wk = 0.0092593
k( 140) = ( 0.1666667 0.5000000 1.1666667), wk = 0.0092593
k( 141) = ( 0.0000000 0.6666667 1.0000000), wk = 0.0092593
k( 142) = ( -0.1666667 0.8333333 0.8333333), wk = 0.0092593
k( 143) = ( -0.3333333 1.0000000 0.6666667), wk = 0.0092593
k( 144) = ( -0.5000000 1.1666667 0.5000000), wk = 0.0092593
k( 145) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0092593
k( 146) = ( -0.8333333 -0.5000000 0.5000000), wk = 0.0092593
k( 147) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0092593
k( 148) = ( -1.1666667 -0.1666667 0.1666667), wk = 0.0092593
k( 149) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0092593
k( 150) = ( -1.5000000 0.1666667 -0.1666667), wk = 0.0092593
k( 151) = ( -0.5000000 -0.5000000 0.8333333), wk = 0.0092593
k( 152) = ( -0.6666667 -0.3333333 0.6666667), wk = 0.0092593
k( 153) = ( -0.8333333 -0.1666667 0.5000000), wk = 0.0092593
k( 154) = ( -1.0000000 0.0000000 0.3333333), wk = 0.0092593
k( 155) = ( -1.1666667 0.1666667 0.1666667), wk = 0.0092593
k( 156) = ( -1.3333333 0.3333333 0.0000000), wk = 0.0092593
k( 157) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0092593
k( 158) = ( -0.5000000 -0.1666667 0.8333333), wk = 0.0092593
k( 159) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0092593
k( 160) = ( -0.8333333 0.1666667 0.5000000), wk = 0.0092593
k( 161) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0092593
k( 162) = ( -1.1666667 0.5000000 0.1666667), wk = 0.0092593
k( 163) = ( -0.1666667 -0.1666667 1.1666667), wk = 0.0092593
k( 164) = ( -0.3333333 -0.0000000 1.0000000), wk = 0.0092593
k( 165) = ( -0.5000000 0.1666667 0.8333333), wk = 0.0092593
k( 166) = ( -0.6666667 0.3333333 0.6666667), wk = 0.0092593
k( 167) = ( -0.8333333 0.5000000 0.5000000), wk = 0.0092593
k( 168) = ( -1.0000000 0.6666667 0.3333333), wk = 0.0092593
k( 169) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0092593
k( 170) = ( -0.1666667 0.1666667 1.1666667), wk = 0.0092593
k( 171) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0092593
k( 172) = ( -0.5000000 0.5000000 0.8333333), wk = 0.0092593
k( 173) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0092593
k( 174) = ( -0.8333333 0.8333333 0.5000000), wk = 0.0092593
k( 175) = ( 0.1666667 0.1666667 1.5000000), wk = 0.0092593
k( 176) = ( -0.0000000 0.3333333 1.3333333), wk = 0.0092593
k( 177) = ( -0.1666667 0.5000000 1.1666667), wk = 0.0092593
k( 178) = ( -0.3333333 0.6666667 1.0000000), wk = 0.0092593
k( 179) = ( -0.5000000 0.8333333 0.8333333), wk = 0.0092593
k( 180) = ( -0.6666667 1.0000000 0.6666667), wk = 0.0092593
k( 181) = ( -0.8333333 -0.8333333 0.8333333), wk = 0.0092593
k( 182) = ( -1.0000000 -0.6666667 0.6666667), wk = 0.0092593
k( 183) = ( -1.1666667 -0.5000000 0.5000000), wk = 0.0092593
k( 184) = ( -1.3333333 -0.3333333 0.3333333), wk = 0.0092593
k( 185) = ( -1.5000000 -0.1666667 0.1666667), wk = 0.0092593
k( 186) = ( -1.6666667 0.0000000 0.0000000), wk = 0.0092593
k( 187) = ( -0.6666667 -0.6666667 1.0000000), wk = 0.0092593
k( 188) = ( -0.8333333 -0.5000000 0.8333333), wk = 0.0092593
k( 189) = ( -1.0000000 -0.3333333 0.6666667), wk = 0.0092593
k( 190) = ( -1.1666667 -0.1666667 0.5000000), wk = 0.0092593
k( 191) = ( -1.3333333 0.0000000 0.3333333), wk = 0.0092593
k( 192) = ( -1.5000000 0.1666667 0.1666667), wk = 0.0092593
k( 193) = ( -0.5000000 -0.5000000 1.1666667), wk = 0.0092593
k( 194) = ( -0.6666667 -0.3333333 1.0000000), wk = 0.0092593
k( 195) = ( -0.8333333 -0.1666667 0.8333333), wk = 0.0092593
k( 196) = ( -1.0000000 0.0000000 0.6666667), wk = 0.0092593
k( 197) = ( -1.1666667 0.1666667 0.5000000), wk = 0.0092593
k( 198) = ( -1.3333333 0.3333333 0.3333333), wk = 0.0092593
k( 199) = ( -0.3333333 -0.3333333 1.3333333), wk = 0.0092593
k( 200) = ( -0.5000000 -0.1666667 1.1666667), wk = 0.0092593
k( 201) = ( -0.6666667 0.0000000 1.0000000), wk = 0.0092593
k( 202) = ( -0.8333333 0.1666667 0.8333333), wk = 0.0092593
k( 203) = ( -1.0000000 0.3333333 0.6666667), wk = 0.0092593
k( 204) = ( -1.1666667 0.5000000 0.5000000), wk = 0.0092593
k( 205) = ( -0.1666667 -0.1666667 1.5000000), wk = 0.0092593
k( 206) = ( -0.3333333 0.0000000 1.3333333), wk = 0.0092593
k( 207) = ( -0.5000000 0.1666667 1.1666667), wk = 0.0092593
k( 208) = ( -0.6666667 0.3333333 1.0000000), wk = 0.0092593
k( 209) = ( -0.8333333 0.5000000 0.8333333), wk = 0.0092593
k( 210) = ( -1.0000000 0.6666667 0.6666667), wk = 0.0092593
k( 211) = ( 0.0000000 0.0000000 1.6666667), wk = 0.0092593
k( 212) = ( -0.1666667 0.1666667 1.5000000), wk = 0.0092593
k( 213) = ( -0.3333333 0.3333333 1.3333333), wk = 0.0092593
k( 214) = ( -0.5000000 0.5000000 1.1666667), wk = 0.0092593
k( 215) = ( -0.6666667 0.6666667 1.0000000), wk = 0.0092593
k( 216) = ( -0.8333333 0.8333333 0.8333333), wk = 0.0092593
PseudoPot. # 1 for C read from file:
../pp/C_3.98148.UPF
MD5 check sum: 8b65adcd36341f53911399f4b6efa59f
Pseudo is Norm-conserving, Zval = 4.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 461 points, 2 beta functions with:
l(1) = 0
l(2) = 1
EPW : 2.06s CPU 2.09s WALL
EPW : 2.11s CPU 2.13s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
Using ./diam.ukk from disk
-------------------------------------------------------------------
Dipole matrix elements calculated
Calculating kmap and kgmap
Progress kmap: ########################################
Progress kgmap: ########################################
kmaps : 2.51s CPU 2.58s WALL ( 1 calls)
Reading epmatq from .epb files
Using uniform q-mesh: 50 50 50
Size of q point mesh for interpolation: 125000
Using k-mesh file: meshes/path.dat
Size of k point mesh for interpolation: 402
Max number of k points per pool: 52
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
Loading epwdata.fmt: ###########################################
Finished reading Wann rep data from file
Fermi energy coarse grid = 12.903848 eV
===================================================================
Fermi energy is read from the input file: Ef = 13.209862 eV
===================================================================
Number of ep-matrix elements per pool : 1404 ~= 10.97 Kb (@ 8 bytes/ DP)
===================================================================
Electron (Imaginary) Self-Energy in the Migdal Approximation (on the fly)
===================================================================
Fermi Surface thickness = 1.360570 eV
Golden Rule strictly enforced with T = 0.025852 eV
Gaussian Broadening: 0.100000 eV, ngauss= 1
DOS = 0.237055 states/spin/eV/Unit Cell at Ef= 13.209862 eV
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.5000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -13.1693 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.3049 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.3049 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 2 coord.: 0.4950000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -13.1594 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.3044 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.3044 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 3 coord.: 0.4900000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -13.1301 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.3031 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.3031 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 4 coord.: 0.4850000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -13.0829 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.3008 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.3008 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 5 coord.: 0.4800000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -13.0197 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2977 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2977 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 6 coord.: 0.4750000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.9428 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2936 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2936 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 7 coord.: 0.4700000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.8542 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2886 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2886 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 8 coord.: 0.4650000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.7559 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2828 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2828 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 9 coord.: 0.4600000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.6494 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2760 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2760 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 10 coord.: 0.4550000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.5361 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2684 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2684 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 11 coord.: 0.4500000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.4169 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2598 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2598 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 12 coord.: 0.4450000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.2927 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2503 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2503 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 13 coord.: 0.4400000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.1641 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2400 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2400 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 14 coord.: 0.4350000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.0318 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2287 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2287 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 15 coord.: 0.4300000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.8962 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2166 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2166 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 16 coord.: 0.4250000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.7576 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2035 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2035 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 17 coord.: 0.4200000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.6163 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1896 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1896 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 18 coord.: 0.4150000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.4726 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1748 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1748 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 19 coord.: 0.4100000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.3267 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1591 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1591 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 20 coord.: 0.4050000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.1788 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1425 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1425 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 21 coord.: 0.4000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.0291 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1250 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1250 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 22 coord.: 0.3950000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.8777 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1067 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.1067 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 23 coord.: 0.3900000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.7248 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0875 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0875 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 24 coord.: 0.3850000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.5705 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0674 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0674 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 25 coord.: 0.3800000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.4149 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0465 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0465 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 26 coord.: 0.3750000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.2581 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0247 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0247 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 27 coord.: 0.3700000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.1003 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0021 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0021 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 28 coord.: 0.3650000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.9414 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.9787 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.9787 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 29 coord.: 0.3600000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.7817 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.9544 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.9544 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 30 coord.: 0.3550000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.6211 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.9293 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.9293 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 31 coord.: 0.3500000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.4597 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.9034 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.9034 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 32 coord.: 0.3450000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.2976 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.8767 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.8767 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 33 coord.: 0.3400000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.1349 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.8492 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.8492 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 34 coord.: 0.3350000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.9717 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.8209 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.8209 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 35 coord.: 0.3300000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.8078 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.7918 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.7918 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 36 coord.: 0.3250000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.6435 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.7620 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.7620 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 37 coord.: 0.3200000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.4787 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.7314 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.7314 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 38 coord.: 0.3150000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.3134 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.7000 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.7000 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 39 coord.: 0.3100000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.1477 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.6679 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.6679 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 40 coord.: 0.3050000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.9816 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.6350 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.6350 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 41 coord.: 0.3000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.8151 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.6015 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.6015 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 42 coord.: 0.2950000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.6482 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.5671 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.5671 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 43 coord.: 0.2900000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.4808 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.5321 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.5321 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 44 coord.: 0.2850000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.3131 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.4964 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.4964 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 45 coord.: 0.2800000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.1449 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.4599 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.4599 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 46 coord.: 0.2750000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.9764 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.4228 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.4228 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 47 coord.: 0.2700000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.8073 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.3849 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.3849 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 48 coord.: 0.2650000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.6378 eV Re[Sigma]= -12.0169 meV Im[Sigma]= 4.4299 meV Z= 1.0004
E( 3 )= -1.3464 eV Re[Sigma]= -17.1224 meV Im[Sigma]= 97.1656 meV Z= 1.1602
E( 4 )= -1.3464 eV Re[Sigma]= -17.1140 meV Im[Sigma]= 97.2085 meV Z= 1.1604
-------------------------------------------------------------------
ik = 49 coord.: 0.2600000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.4678 eV Re[Sigma]= -11.8415 meV Im[Sigma]= 4.8117 meV Z= 0.9987
E( 3 )= -1.3072 eV Re[Sigma]= -12.2416 meV Im[Sigma]= 96.8811 meV Z= 1.1435
E( 4 )= -1.3072 eV Re[Sigma]= -12.2194 meV Im[Sigma]= 96.9171 meV Z= 1.1437
-------------------------------------------------------------------
ik = 50 coord.: 0.2550000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.2973 eV Re[Sigma]= -12.3838 meV Im[Sigma]= 5.7965 meV Z= 1.0016
E( 3 )= -1.2674 eV Re[Sigma]= -6.7038 meV Im[Sigma]= 95.9507 meV Z= 1.1391
E( 4 )= -1.2674 eV Re[Sigma]= -6.6759 meV Im[Sigma]= 95.9739 meV Z= 1.1392
-------------------------------------------------------------------
ik = 51 coord.: 0.2500000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.1263 eV Re[Sigma]= -12.2484 meV Im[Sigma]= 5.8887 meV Z= 0.9976
E( 3 )= -1.2269 eV Re[Sigma]= -2.4148 meV Im[Sigma]= 93.4557 meV Z= 1.1004
E( 4 )= -1.2269 eV Re[Sigma]= -2.3819 meV Im[Sigma]= 93.4716 meV Z= 1.1004
-------------------------------------------------------------------
ik = 52 coord.: 0.2450000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.9547 eV Re[Sigma]= -12.4497 meV Im[Sigma]= 6.5450 meV Z= 1.0016
E( 3 )= -1.1857 eV Re[Sigma]= 1.9378 meV Im[Sigma]= 92.4727 meV Z= 1.0978
E( 4 )= -1.1857 eV Re[Sigma]= 1.9740 meV Im[Sigma]= 92.4790 meV Z= 1.0977
-------------------------------------------------------------------
ik = 53 coord.: 0.2400000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.7826 eV Re[Sigma]= -12.3671 meV Im[Sigma]= 6.8938 meV Z= 0.9978
E( 3 )= -1.1440 eV Re[Sigma]= 5.4789 meV Im[Sigma]= 90.3069 meV Z= 1.0738
E( 4 )= -1.1440 eV Re[Sigma]= 5.5154 meV Im[Sigma]= 90.3092 meV Z= 1.0738
-------------------------------------------------------------------
ik = 54 coord.: 0.2350000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.6100 eV Re[Sigma]= -12.9243 meV Im[Sigma]= 7.1819 meV Z= 1.0000
E( 3 )= -1.1016 eV Re[Sigma]= 9.3372 meV Im[Sigma]= 90.1788 meV Z= 1.0940
E( 4 )= -1.1016 eV Re[Sigma]= 9.3741 meV Im[Sigma]= 90.1704 meV Z= 1.0939
-------------------------------------------------------------------
ik = 55 coord.: 0.2300000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.4368 eV Re[Sigma]= -13.2413 meV Im[Sigma]= 7.5521 meV Z= 0.9973
E( 3 )= -1.0587 eV Re[Sigma]= 12.9752 meV Im[Sigma]= 88.2835 meV Z= 1.0701
E( 4 )= -1.0587 eV Re[Sigma]= 13.0083 meV Im[Sigma]= 88.2720 meV Z= 1.0700
-------------------------------------------------------------------
ik = 56 coord.: 0.2250000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.2631 eV Re[Sigma]= -13.3554 meV Im[Sigma]= 8.2679 meV Z= 0.9976
E( 3 )= -1.0152 eV Re[Sigma]= 16.2040 meV Im[Sigma]= 87.2310 meV Z= 1.0720
E( 4 )= -1.0152 eV Re[Sigma]= 16.2362 meV Im[Sigma]= 87.2179 meV Z= 1.0719
-------------------------------------------------------------------
ik = 57 coord.: 0.2200000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.0888 eV Re[Sigma]= -14.2369 meV Im[Sigma]= 9.6562 meV Z= 1.0055
E( 3 )= -0.9711 eV Re[Sigma]= 19.1868 meV Im[Sigma]= 85.6651 meV Z= 1.0574
E( 4 )= -0.9711 eV Re[Sigma]= 19.2103 meV Im[Sigma]= 85.6549 meV Z= 1.0573
-------------------------------------------------------------------
ik = 58 coord.: 0.2150000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.9140 eV Re[Sigma]= -14.2122 meV Im[Sigma]= 9.4227 meV Z= 0.9994
E( 3 )= -0.9265 eV Re[Sigma]= 22.4909 meV Im[Sigma]= 85.2365 meV Z= 1.0793
E( 4 )= -0.9265 eV Re[Sigma]= 22.5107 meV Im[Sigma]= 85.2300 meV Z= 1.0792
-------------------------------------------------------------------
ik = 59 coord.: 0.2100000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.7388 eV Re[Sigma]= -14.1008 meV Im[Sigma]= 9.8810 meV Z= 0.9935
E( 3 )= -0.8814 eV Re[Sigma]= 25.7057 meV Im[Sigma]= 83.0330 meV Z= 1.0597
E( 4 )= -0.8814 eV Re[Sigma]= 25.7185 meV Im[Sigma]= 83.0302 meV Z= 1.0596
-------------------------------------------------------------------
ik = 60 coord.: 0.2050000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.5631 eV Re[Sigma]= -14.8920 meV Im[Sigma]= 12.0693 meV Z= 1.0064
E( 3 )= -0.8359 eV Re[Sigma]= 28.7350 meV Im[Sigma]= 81.2345 meV Z= 1.0577
E( 4 )= -0.8359 eV Re[Sigma]= 28.7448 meV Im[Sigma]= 81.2380 meV Z= 1.0576
-------------------------------------------------------------------
ik = 61 coord.: 0.2000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.3870 eV Re[Sigma]= -15.1432 meV Im[Sigma]= 10.1169 meV Z= 0.9850
E( 3 )= -0.7899 eV Re[Sigma]= 31.2566 meV Im[Sigma]= 78.9901 meV Z= 1.0466
E( 4 )= -0.7899 eV Re[Sigma]= 31.2663 meV Im[Sigma]= 79.0044 meV Z= 1.0467
-------------------------------------------------------------------
ik = 62 coord.: 0.1950000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.2107 eV Re[Sigma]= -15.4284 meV Im[Sigma]= 13.8094 meV Z= 1.0104
E( 3 )= -0.7435 eV Re[Sigma]= 33.9295 meV Im[Sigma]= 77.6568 meV Z= 1.0593
E( 4 )= -0.7435 eV Re[Sigma]= 33.9369 meV Im[Sigma]= 77.6696 meV Z= 1.0592
-------------------------------------------------------------------
ik = 63 coord.: 0.1900000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.0342 eV Re[Sigma]= -15.8627 meV Im[Sigma]= 12.2047 meV Z= 0.9833
E( 3 )= -0.6968 eV Re[Sigma]= 36.4418 meV Im[Sigma]= 76.1414 meV Z= 1.0556
E( 4 )= -0.6968 eV Re[Sigma]= 36.4481 meV Im[Sigma]= 76.1668 meV Z= 1.0555
-------------------------------------------------------------------
ik = 64 coord.: 0.1850000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.8575 eV Re[Sigma]= -16.4913 meV Im[Sigma]= 16.4899 meV Z= 1.0157
E( 3 )= -0.6498 eV Re[Sigma]= 39.0770 meV Im[Sigma]= 74.0267 meV Z= 1.0453
E( 4 )= -0.6498 eV Re[Sigma]= 39.0835 meV Im[Sigma]= 74.0577 meV Z= 1.0453
-------------------------------------------------------------------
ik = 65 coord.: 0.1800000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.6809 eV Re[Sigma]= -17.2371 meV Im[Sigma]= 13.8848 meV Z= 0.9784
E( 3 )= -0.6025 eV Re[Sigma]= 41.2348 meV Im[Sigma]= 72.8689 meV Z= 1.0509
E( 4 )= -0.6025 eV Re[Sigma]= 41.2421 meV Im[Sigma]= 72.9106 meV Z= 1.0509
-------------------------------------------------------------------
ik = 66 coord.: 0.1750000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.5044 eV Re[Sigma]= -17.0413 meV Im[Sigma]= 18.2328 meV Z= 1.0043
E( 3 )= -0.5550 eV Re[Sigma]= 44.3733 meV Im[Sigma]= 71.5019 meV Z= 1.0599
E( 4 )= -0.5550 eV Re[Sigma]= 44.3813 meV Im[Sigma]= 71.5533 meV Z= 1.0599
-------------------------------------------------------------------
ik = 67 coord.: 0.1700000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.3283 eV Re[Sigma]= -18.6146 meV Im[Sigma]= 18.3143 meV Z= 0.9963
E( 3 )= -0.5074 eV Re[Sigma]= 47.0517 meV Im[Sigma]= 68.9716 meV Z= 1.0538
E( 4 )= -0.5074 eV Re[Sigma]= 47.0648 meV Im[Sigma]= 69.0323 meV Z= 1.0539
-------------------------------------------------------------------
ik = 68 coord.: 0.1650000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.1526 eV Re[Sigma]= -18.7523 meV Im[Sigma]= 19.5132 meV Z= 0.9924
E( 3 )= -0.4597 eV Re[Sigma]= 49.8303 meV Im[Sigma]= 66.5070 meV Z= 1.0459
E( 4 )= -0.4597 eV Re[Sigma]= 49.8497 meV Im[Sigma]= 66.5734 meV Z= 1.0460
-------------------------------------------------------------------
ik = 69 coord.: 0.1600000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.9776 eV Re[Sigma]= -19.3604 meV Im[Sigma]= 23.1510 meV Z= 1.0029
E( 3 )= -0.4120 eV Re[Sigma]= 52.1574 meV Im[Sigma]= 63.7794 meV Z= 1.0440
E( 4 )= -0.4120 eV Re[Sigma]= 52.1872 meV Im[Sigma]= 63.8504 meV Z= 1.0441
-------------------------------------------------------------------
ik = 70 coord.: 0.1550000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.8034 eV Re[Sigma]= -19.9251 meV Im[Sigma]= 23.4002 meV Z= 0.9924
E( 3 )= -0.3643 eV Re[Sigma]= 54.8744 meV Im[Sigma]= 61.8316 meV Z= 1.0534
E( 4 )= -0.3643 eV Re[Sigma]= 54.9131 meV Im[Sigma]= 61.8970 meV Z= 1.0535
-------------------------------------------------------------------
ik = 71 coord.: 0.1500000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.6303 eV Re[Sigma]= -20.6972 meV Im[Sigma]= 26.9404 meV Z= 0.9991
E( 3 )= -0.3168 eV Re[Sigma]= 57.5796 meV Im[Sigma]= 59.3380 meV Z= 1.0569
E( 4 )= -0.3168 eV Re[Sigma]= 57.6282 meV Im[Sigma]= 59.4005 meV Z= 1.0570
-------------------------------------------------------------------
ik = 72 coord.: 0.1450000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.4586 eV Re[Sigma]= -20.1995 meV Im[Sigma]= 29.9629 meV Z= 0.9967
E( 3 )= -0.2695 eV Re[Sigma]= 60.1513 meV Im[Sigma]= 55.0182 meV Z= 1.0515
E( 4 )= -0.2695 eV Re[Sigma]= 60.2084 meV Im[Sigma]= 55.0710 meV Z= 1.0516
-------------------------------------------------------------------
ik = 73 coord.: 0.1400000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.2884 eV Re[Sigma]= -19.4869 meV Im[Sigma]= 35.9484 meV Z= 1.0286
E( 3 )= -0.2225 eV Re[Sigma]= 62.5590 meV Im[Sigma]= 48.9889 meV Z= 1.0504
E( 4 )= -0.2225 eV Re[Sigma]= 62.6232 meV Im[Sigma]= 49.0311 meV Z= 1.0504
-------------------------------------------------------------------
ik = 74 coord.: 0.1350000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.1201 eV Re[Sigma]= -18.3858 meV Im[Sigma]= 34.5573 meV Z= 0.9980
E( 3 )= -0.1759 eV Re[Sigma]= 64.0784 meV Im[Sigma]= 37.3649 meV Z= 0.9963
E( 4 )= -0.1759 eV Re[Sigma]= 64.1487 meV Im[Sigma]= 37.3900 meV Z= 0.9963
-------------------------------------------------------------------
ik = 75 coord.: 0.1300000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.9539 eV Re[Sigma]= -19.6235 meV Im[Sigma]= 36.2445 meV Z= 0.9990
E( 3 )= -0.1297 eV Re[Sigma]= 62.5440 meV Im[Sigma]= 24.6818 meV Z= 0.9416
E( 4 )= -0.1297 eV Re[Sigma]= 62.6170 meV Im[Sigma]= 24.6823 meV Z= 0.9416
-------------------------------------------------------------------
ik = 76 coord.: 0.1250000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.7901 eV Re[Sigma]= -23.1111 meV Im[Sigma]= 34.1102 meV Z= 0.9692
E( 3 )= -0.0841 eV Re[Sigma]= 59.3600 meV Im[Sigma]= 14.3933 meV Z= 0.9037
E( 4 )= -0.0841 eV Re[Sigma]= 59.4302 meV Im[Sigma]= 14.3688 meV Z= 0.9036
-------------------------------------------------------------------
ik = 77 coord.: 0.1200000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.6290 eV Re[Sigma]= -31.2293 meV Im[Sigma]= 34.7913 meV Z= 0.9262
E( 3 )= -0.0392 eV Re[Sigma]= 54.6725 meV Im[Sigma]= 7.9746 meV Z= 0.8885
E( 4 )= -0.0392 eV Re[Sigma]= 54.7379 meV Im[Sigma]= 7.9289 meV Z= 0.8884
-------------------------------------------------------------------
ik = 78 coord.: 0.1150000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.4710 eV Re[Sigma]= -34.5374 meV Im[Sigma]= 82.5227 meV Z= 1.1450
E( 3 )= 0.0050 eV Re[Sigma]= 49.1758 meV Im[Sigma]= 6.5074 meV Z= 0.8889
E( 4 )= 0.0050 eV Re[Sigma]= 49.2336 meV Im[Sigma]= 6.4416 meV Z= 0.8887
-------------------------------------------------------------------
ik = 79 coord.: 0.1100000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.3164 eV Re[Sigma]= -12.3766 meV Im[Sigma]= 99.5984 meV Z= 1.1759
E( 3 )= 0.0482 eV Re[Sigma]= 44.0517 meV Im[Sigma]= 9.2691 meV Z= 0.9006
E( 4 )= 0.0482 eV Re[Sigma]= 44.1003 meV Im[Sigma]= 9.1909 meV Z= 0.9004
-------------------------------------------------------------------
ik = 80 coord.: 0.1050000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.1655 eV Re[Sigma]= 4.9331 meV Im[Sigma]= 94.2808 meV Z= 1.0972
E( 3 )= 0.0906 eV Re[Sigma]= 40.4693 meV Im[Sigma]= 15.1860 meV Z= 0.9265
E( 4 )= 0.0906 eV Re[Sigma]= 40.5083 meV Im[Sigma]= 15.0980 meV Z= 0.9263
-------------------------------------------------------------------
ik = 81 coord.: 0.1000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.0186 eV Re[Sigma]= 17.5549 meV Im[Sigma]= 89.3075 meV Z= 1.0753
E( 3 )= 0.1318 eV Re[Sigma]= 38.4173 meV Im[Sigma]= 22.7953 meV Z= 0.9616
E( 4 )= 0.1318 eV Re[Sigma]= 38.4455 meV Im[Sigma]= 22.7015 meV Z= 0.9614
-------------------------------------------------------------------
ik = 82 coord.: 0.0950000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.8762 eV Re[Sigma]= 27.4867 meV Im[Sigma]= 84.5230 meV Z= 1.0672
E( 3 )= 0.1719 eV Re[Sigma]= 38.2533 meV Im[Sigma]= 32.3903 meV Z= 1.0157
E( 4 )= 0.1719 eV Re[Sigma]= 38.2733 meV Im[Sigma]= 32.2935 meV Z= 1.0154
-------------------------------------------------------------------
ik = 83 coord.: 0.0900000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.7384 eV Re[Sigma]= 35.5145 meV Im[Sigma]= 80.1086 meV Z= 1.0635
E( 3 )= 0.2107 eV Re[Sigma]= 40.1222 meV Im[Sigma]= 39.5117 meV Z= 1.0529
E( 4 )= 0.2107 eV Re[Sigma]= 40.1341 meV Im[Sigma]= 39.4037 meV Z= 1.0526
-------------------------------------------------------------------
ik = 84 coord.: 0.0850000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.6058 eV Re[Sigma]= 42.7052 meV Im[Sigma]= 74.1637 meV Z= 1.0531
E( 3 )= 0.2481 eV Re[Sigma]= 42.5467 meV Im[Sigma]= 43.5094 meV Z= 1.0747
E( 4 )= 0.2481 eV Re[Sigma]= 42.5481 meV Im[Sigma]= 43.3899 meV Z= 1.0743
-------------------------------------------------------------------
ik = 85 coord.: 0.0800000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.4786 eV Re[Sigma]= 50.3202 meV Im[Sigma]= 69.2908 meV Z= 1.0492
E( 3 )= 0.2840 eV Re[Sigma]= 45.2929 meV Im[Sigma]= 45.3034 meV Z= 1.0761
E( 4 )= 0.2840 eV Re[Sigma]= 45.2831 meV Im[Sigma]= 45.1701 meV Z= 1.0757
-------------------------------------------------------------------
ik = 86 coord.: 0.0750000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.3571 eV Re[Sigma]= 56.7339 meV Im[Sigma]= 63.4314 meV Z= 1.0566
E( 3 )= 0.3183 eV Re[Sigma]= 48.0313 meV Im[Sigma]= 44.6674 meV Z= 1.0726
E( 4 )= 0.3183 eV Re[Sigma]= 48.0075 meV Im[Sigma]= 44.5230 meV Z= 1.0721
-------------------------------------------------------------------
ik = 87 coord.: 0.0700000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.2417 eV Re[Sigma]= 63.5175 meV Im[Sigma]= 51.7676 meV Z= 1.0383
E( 3 )= 0.3509 eV Re[Sigma]= 50.4030 meV Im[Sigma]= 43.1182 meV Z= 1.0633
E( 4 )= 0.3509 eV Re[Sigma]= 50.3655 meV Im[Sigma]= 42.9688 meV Z= 1.0628
-------------------------------------------------------------------
ik = 88 coord.: 0.0650000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.1327 eV Re[Sigma]= 64.6005 meV Im[Sigma]= 26.9491 meV Z= 0.9434
E( 3 )= 0.3818 eV Re[Sigma]= 52.5505 meV Im[Sigma]= 41.4100 meV Z= 1.0557
E( 4 )= 0.3818 eV Re[Sigma]= 52.4989 meV Im[Sigma]= 41.2580 meV Z= 1.0553
-------------------------------------------------------------------
ik = 89 coord.: 0.0600000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.0304 eV Re[Sigma]= 54.9361 meV Im[Sigma]= 7.8699 meV Z= 0.8847
E( 3 )= 0.4107 eV Re[Sigma]= 54.3044 meV Im[Sigma]= 39.3891 meV Z= 1.0426
E( 4 )= 0.4107 eV Re[Sigma]= 54.2399 meV Im[Sigma]= 39.2389 meV Z= 1.0422
-------------------------------------------------------------------
ik = 90 coord.: 0.0550000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.0649 eV Re[Sigma]= 43.4025 meV Im[Sigma]= 11.7403 meV Z= 0.9062
E( 3 )= 0.4378 eV Re[Sigma]= 55.6796 meV Im[Sigma]= 37.7461 meV Z= 1.0402
E( 4 )= 0.4378 eV Re[Sigma]= 55.6028 meV Im[Sigma]= 37.5997 meV Z= 1.0399
-------------------------------------------------------------------
ik = 91 coord.: 0.0500000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.1529 eV Re[Sigma]= 38.7755 meV Im[Sigma]= 30.6049 meV Z= 1.0018
E( 3 )= 0.4627 eV Re[Sigma]= 56.9942 meV Im[Sigma]= 36.2285 meV Z= 1.0394
E( 4 )= 0.4627 eV Re[Sigma]= 56.9055 meV Im[Sigma]= 36.0874 meV Z= 1.0391
-------------------------------------------------------------------
ik = 92 coord.: 0.0450000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.2334 eV Re[Sigma]= 42.2239 meV Im[Sigma]= 43.9857 meV Z= 1.0743
E( 3 )= 0.4856 eV Re[Sigma]= 58.0805 meV Im[Sigma]= 34.6206 meV Z= 1.0373
E( 4 )= 0.4856 eV Re[Sigma]= 57.9808 meV Im[Sigma]= 34.4867 meV Z= 1.0371
-------------------------------------------------------------------
ik = 93 coord.: 0.0400000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.3061 eV Re[Sigma]= 47.7148 meV Im[Sigma]= 46.7265 meV Z= 1.0780
E( 3 )= 0.5062 eV Re[Sigma]= 59.0447 meV Im[Sigma]= 33.1778 meV Z= 1.0365
E( 4 )= 0.5062 eV Re[Sigma]= 58.9362 meV Im[Sigma]= 33.0514 meV Z= 1.0363
-------------------------------------------------------------------
ik = 94 coord.: 0.0350000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.3708 eV Re[Sigma]= 52.5181 meV Im[Sigma]= 43.2483 meV Z= 1.0622
E( 3 )= 0.5246 eV Re[Sigma]= 59.8943 meV Im[Sigma]= 31.6519 meV Z= 1.0295
E( 4 )= 0.5246 eV Re[Sigma]= 59.7787 meV Im[Sigma]= 31.5328 meV Z= 1.0294
-------------------------------------------------------------------
ik = 95 coord.: 0.0300000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.4272 eV Re[Sigma]= 55.7473 meV Im[Sigma]= 39.7562 meV Z= 1.0516
E( 3 )= 0.5406 eV Re[Sigma]= 60.4964 meV Im[Sigma]= 30.1785 meV Z= 1.0253
E( 4 )= 0.5406 eV Re[Sigma]= 60.3752 meV Im[Sigma]= 30.0665 meV Z= 1.0253
-------------------------------------------------------------------
ik = 96 coord.: 0.0250000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.4753 eV Re[Sigma]= 58.0919 meV Im[Sigma]= 35.9993 meV Z= 1.0402
E( 3 )= 0.5543 eV Re[Sigma]= 61.0646 meV Im[Sigma]= 28.9542 meV Z= 1.0211
E( 4 )= 0.5543 eV Re[Sigma]= 60.9391 meV Im[Sigma]= 28.8481 meV Z= 1.0210
-------------------------------------------------------------------
ik = 97 coord.: 0.0200000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5149 eV Re[Sigma]= 59.7446 meV Im[Sigma]= 32.8692 meV Z= 1.0345
E( 3 )= 0.5655 eV Re[Sigma]= 61.4487 meV Im[Sigma]= 27.8604 meV Z= 1.0172
E( 4 )= 0.5655 eV Re[Sigma]= 61.3206 meV Im[Sigma]= 27.7594 meV Z= 1.0172
-------------------------------------------------------------------
ik = 98 coord.: 0.0150000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5458 eV Re[Sigma]= 60.8827 meV Im[Sigma]= 29.8580 meV Z= 1.0228
E( 3 )= 0.5743 eV Re[Sigma]= 61.7341 meV Im[Sigma]= 26.9165 meV Z= 1.0151
E( 4 )= 0.5743 eV Re[Sigma]= 61.6043 meV Im[Sigma]= 26.8197 meV Z= 1.0151
-------------------------------------------------------------------
ik = 99 coord.: 0.0100000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5679 eV Re[Sigma]= 61.4770 meV Im[Sigma]= 27.4836 meV Z= 1.0172
E( 3 )= 0.5806 eV Re[Sigma]= 61.8858 meV Im[Sigma]= 26.2324 meV Z= 1.0134
E( 4 )= 0.5806 eV Re[Sigma]= 61.7548 meV Im[Sigma]= 26.1393 meV Z= 1.0135
-------------------------------------------------------------------
ik = 100 coord.: 0.0050000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5812 eV Re[Sigma]= 61.8262 meV Im[Sigma]= 26.0621 meV Z= 1.0135
E( 3 )= 0.5844 eV Re[Sigma]= 62.0301 meV Im[Sigma]= 25.8157 meV Z= 1.0120
E( 4 )= 0.5844 eV Re[Sigma]= 61.8982 meV Im[Sigma]= 25.7255 meV Z= 1.0120
-------------------------------------------------------------------
ik = 101 coord.: 0.0000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5857 eV Re[Sigma]= 61.9550 meV Im[Sigma]= 25.5973 meV Z= 1.0114
E( 3 )= 0.5857 eV Re[Sigma]= 62.0153 meV Im[Sigma]= 25.6530 meV Z= 1.0114
E( 4 )= 0.5857 eV Re[Sigma]= 61.9116 meV Im[Sigma]= 25.5634 meV Z= 1.0114
-------------------------------------------------------------------
ik = 102 coord.: 0.0050000 0.0050000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5822 eV Re[Sigma]= 61.8742 meV Im[Sigma]= 26.0454 meV Z= 1.0132
E( 3 )= 0.5822 eV Re[Sigma]= 61.7440 meV Im[Sigma]= 25.9237 meV Z= 1.0132
E( 4 )= 0.5833 eV Re[Sigma]= 61.8807 meV Im[Sigma]= 25.8980 meV Z= 1.0128
-------------------------------------------------------------------
ik = 103 coord.: 0.0100000 0.0100000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5718 eV Re[Sigma]= 61.6013 meV Im[Sigma]= 27.1540 meV Z= 1.0168
E( 3 )= 0.5718 eV Re[Sigma]= 61.4689 meV Im[Sigma]= 27.0162 meV Z= 1.0167
E( 4 )= 0.5763 eV Re[Sigma]= 61.7527 meV Im[Sigma]= 26.6932 meV Z= 1.0160
-------------------------------------------------------------------
ik = 104 coord.: 0.0150000 0.0150000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5545 eV Re[Sigma]= 61.0712 meV Im[Sigma]= 29.0288 meV Z= 1.0209
E( 3 )= 0.5545 eV Re[Sigma]= 60.9372 meV Im[Sigma]= 28.8628 meV Z= 1.0207
E( 4 )= 0.5647 eV Re[Sigma]= 61.4307 meV Im[Sigma]= 27.9777 meV Z= 1.0187
-------------------------------------------------------------------
ik = 105 coord.: 0.0200000 0.0200000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.5303 eV Re[Sigma]= 60.2685 meV Im[Sigma]= 31.4863 meV Z= 1.0289
E( 3 )= 0.5303 eV Re[Sigma]= 60.1373 meV Im[Sigma]= 31.2801 meV Z= 1.0284
E( 4 )= 0.5484 eV Re[Sigma]= 61.0467 meV Im[Sigma]= 29.7331 meV Z= 1.0225
-------------------------------------------------------------------
ik = 106 coord.: 0.0250000 0.0250000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.4995 eV Re[Sigma]= 58.9271 meV Im[Sigma]= 34.0027 meV Z= 1.0353
E( 3 )= 0.4995 eV Re[Sigma]= 58.8061 meV Im[Sigma]= 33.7507 meV Z= 1.0346
E( 4 )= 0.5276 eV Re[Sigma]= 60.2548 meV Im[Sigma]= 31.6346 meV Z= 1.0288
-------------------------------------------------------------------
ik = 107 coord.: 0.0300000 0.0300000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.4621 eV Re[Sigma]= 57.2654 meV Im[Sigma]= 36.9723 meV Z= 1.0431
E( 3 )= 0.4621 eV Re[Sigma]= 57.1617 meV Im[Sigma]= 36.6734 meV Z= 1.0423
E( 4 )= 0.5023 eV Re[Sigma]= 59.3541 meV Im[Sigma]= 33.7225 meV Z= 1.0317
-------------------------------------------------------------------
ik = 108 coord.: 0.0350000 0.0350000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.4184 eV Re[Sigma]= 54.8299 meV Im[Sigma]= 39.7445 meV Z= 1.0463
E( 3 )= 0.4184 eV Re[Sigma]= 54.7551 meV Im[Sigma]= 39.4101 meV Z= 1.0453
E( 4 )= 0.4725 eV Re[Sigma]= 58.0059 meV Im[Sigma]= 36.1182 meV Z= 1.0394
-------------------------------------------------------------------
ik = 109 coord.: 0.0400000 0.0400000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.3684 eV Re[Sigma]= 51.9480 meV Im[Sigma]= 43.0271 meV Z= 1.0652
E( 3 )= 0.3684 eV Re[Sigma]= 51.9078 meV Im[Sigma]= 42.6778 meV Z= 1.0642
E( 4 )= 0.4384 eV Re[Sigma]= 56.4250 meV Im[Sigma]= 38.3852 meV Z= 1.0383
-------------------------------------------------------------------
ik = 110 coord.: 0.0450000 0.0450000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.3125 eV Re[Sigma]= 47.7429 meV Im[Sigma]= 45.3300 meV Z= 1.0730
E( 3 )= 0.3125 eV Re[Sigma]= 47.7409 meV Im[Sigma]= 44.9820 meV Z= 1.0720
E( 4 )= 0.4001 eV Re[Sigma]= 54.4968 meV Im[Sigma]= 41.3610 meV Z= 1.0524
-------------------------------------------------------------------
ik = 111 coord.: 0.0500000 0.0500000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.2508 eV Re[Sigma]= 43.2485 meV Im[Sigma]= 44.5131 meV Z= 1.0733
E( 3 )= 0.2508 eV Re[Sigma]= 43.2823 meV Im[Sigma]= 44.1781 meV Z= 1.0724
E( 4 )= 0.3576 eV Re[Sigma]= 51.8430 meV Im[Sigma]= 44.0510 meV Z= 1.0640
-------------------------------------------------------------------
ik = 112 coord.: 0.0550000 0.0550000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.1836 eV Re[Sigma]= 38.6205 meV Im[Sigma]= 35.7414 meV Z= 1.0335
E( 3 )= 0.1836 eV Re[Sigma]= 38.6913 meV Im[Sigma]= 35.4341 meV Z= 1.0327
E( 4 )= 0.3112 eV Re[Sigma]= 48.5598 meV Im[Sigma]= 46.2883 meV Z= 1.0753
-------------------------------------------------------------------
ik = 113 coord.: 0.0600000 0.0600000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.1113 eV Re[Sigma]= 39.3800 meV Im[Sigma]= 18.8141 meV Z= 0.9418
E( 3 )= 0.1113 eV Re[Sigma]= 39.4754 meV Im[Sigma]= 18.5693 meV Z= 0.9415
E( 4 )= 0.2607 eV Re[Sigma]= 44.6457 meV Im[Sigma]= 46.4090 meV Z= 1.0821
-------------------------------------------------------------------
ik = 114 coord.: 0.0650000 0.0650000 0.0000000
-------------------------------------------------------------------
E( 2 )= 0.0341 eV Re[Sigma]= 45.6834 meV Im[Sigma]= 8.0712 meV Z= 0.8950
E( 3 )= 0.0341 eV Re[Sigma]= 45.7835 meV Im[Sigma]= 7.8762 meV Z= 0.8948
E( 4 )= 0.2065 eV Re[Sigma]= 40.9409 meV Im[Sigma]= 40.7720 meV Z= 1.0578
-------------------------------------------------------------------
ik = 115 coord.: 0.0700000 0.0700000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.0478 eV Re[Sigma]= 55.0544 meV Im[Sigma]= 9.3476 meV Z= 0.8914
E( 3 )= -0.0478 eV Re[Sigma]= 55.1525 meV Im[Sigma]= 9.1794 meV Z= 0.8913
E( 4 )= 0.1486 eV Re[Sigma]= 39.2695 meV Im[Sigma]= 30.0638 meV Z= 0.9960
-------------------------------------------------------------------
ik = 116 coord.: 0.0750000 0.0750000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.1338 eV Re[Sigma]= 62.7818 meV Im[Sigma]= 26.0805 meV Z= 0.9463
E( 3 )= -0.1338 eV Re[Sigma]= 62.8769 meV Im[Sigma]= 25.9304 meV Z= 0.9461
E( 4 )= 0.0872 eV Re[Sigma]= 42.1338 meV Im[Sigma]= 15.6980 meV Z= 0.9216
-------------------------------------------------------------------
ik = 117 coord.: 0.0800000 0.0800000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.2239 eV Re[Sigma]= 62.1594 meV Im[Sigma]= 49.0600 meV Z= 1.0504
E( 3 )= -0.2239 eV Re[Sigma]= 62.2511 meV Im[Sigma]= 48.9345 meV Z= 1.0502
E( 4 )= 0.0224 eV Re[Sigma]= 49.4858 meV Im[Sigma]= 7.3923 meV Z= 0.8869
-------------------------------------------------------------------
ik = 118 coord.: 0.0850000 0.0850000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.3175 eV Re[Sigma]= 57.1575 meV Im[Sigma]= 58.2406 meV Z= 1.0467
E( 3 )= -0.3175 eV Re[Sigma]= 57.2362 meV Im[Sigma]= 58.1372 meV Z= 1.0467
E( 4 )= -0.0458 eV Re[Sigma]= 57.7928 meV Im[Sigma]= 9.5653 meV Z= 0.8847
-------------------------------------------------------------------
ik = 119 coord.: 0.0900000 0.0900000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.4144 eV Re[Sigma]= 51.7648 meV Im[Sigma]= 64.1755 meV Z= 1.0562
E( 3 )= -0.4144 eV Re[Sigma]= 51.8344 meV Im[Sigma]= 64.0880 meV Z= 1.0562
E( 4 )= -0.1172 eV Re[Sigma]= 65.0602 meV Im[Sigma]= 23.2553 meV Z= 0.9272
-------------------------------------------------------------------
ik = 120 coord.: 0.0950000 0.0950000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.5143 eV Re[Sigma]= 46.5400 meV Im[Sigma]= 67.6065 meV Z= 1.0457
E( 3 )= -0.5143 eV Re[Sigma]= 46.5942 meV Im[Sigma]= 67.5299 meV Z= 1.0458
E( 4 )= -0.1916 eV Re[Sigma]= 67.3358 meV Im[Sigma]= 44.1164 meV Z= 1.0131
-------------------------------------------------------------------
ik = 121 coord.: 0.1000000 0.1000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.6167 eV Re[Sigma]= 40.5622 meV Im[Sigma]= 71.2945 meV Z= 1.0431
E( 3 )= -0.6167 eV Re[Sigma]= 40.6010 meV Im[Sigma]= 71.2264 meV Z= 1.0432
E( 4 )= -0.2690 eV Re[Sigma]= 63.4819 meV Im[Sigma]= 59.2051 meV Z= 1.0531
-------------------------------------------------------------------
ik = 122 coord.: 0.1050000 0.1050000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.7215 eV Re[Sigma]= 35.5808 meV Im[Sigma]= 74.9749 meV Z= 1.0533
E( 3 )= -0.7215 eV Re[Sigma]= 35.6053 meV Im[Sigma]= 74.9019 meV Z= 1.0533
E( 4 )= -0.3493 eV Re[Sigma]= 59.1823 meV Im[Sigma]= 65.6547 meV Z= 1.0550
-------------------------------------------------------------------
ik = 123 coord.: 0.1100000 0.1100000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.8282 eV Re[Sigma]= 29.0382 meV Im[Sigma]= 79.4412 meV Z= 1.0670
E( 3 )= -0.8282 eV Re[Sigma]= 29.0516 meV Im[Sigma]= 79.3672 meV Z= 1.0670
E( 4 )= -0.4324 eV Re[Sigma]= 54.4298 meV Im[Sigma]= 70.6366 meV Z= 1.0573
-------------------------------------------------------------------
ik = 124 coord.: 0.1150000 0.1150000 0.0000000
-------------------------------------------------------------------
E( 2 )= -0.9365 eV Re[Sigma]= 22.3824 meV Im[Sigma]= 82.6560 meV Z= 1.0698
E( 3 )= -0.9365 eV Re[Sigma]= 22.3868 meV Im[Sigma]= 82.5725 meV Z= 1.0698
E( 4 )= -0.5182 eV Re[Sigma]= 49.8197 meV Im[Sigma]= 74.9808 meV Z= 1.0552
-------------------------------------------------------------------
ik = 125 coord.: 0.1200000 0.1200000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.0462 eV Re[Sigma]= 14.8491 meV Im[Sigma]= 86.4746 meV Z= 1.0879
E( 3 )= -1.0462 eV Re[Sigma]= 14.8502 meV Im[Sigma]= 86.3734 meV Z= 1.0878
E( 4 )= -0.6066 eV Re[Sigma]= 44.1604 meV Im[Sigma]= 78.9550 meV Z= 1.0520
-------------------------------------------------------------------
ik = 126 coord.: 0.1250000 0.1250000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.1570 eV Re[Sigma]= 5.3641 meV Im[Sigma]= 89.4627 meV Z= 1.0919
E( 3 )= -1.1570 eV Re[Sigma]= 5.3692 meV Im[Sigma]= 89.3474 meV Z= 1.0918
E( 4 )= -0.6976 eV Re[Sigma]= 39.4758 meV Im[Sigma]= 82.5515 meV Z= 1.0550
-------------------------------------------------------------------
ik = 127 coord.: 0.1300000 0.1300000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.2685 eV Re[Sigma]= -6.6474 meV Im[Sigma]= 92.5523 meV Z= 1.1189
E( 3 )= -1.2685 eV Re[Sigma]= -6.6350 meV Im[Sigma]= 92.4123 meV Z= 1.1186
E( 4 )= -0.7910 eV Re[Sigma]= 34.0002 meV Im[Sigma]= 86.7180 meV Z= 1.0624
-------------------------------------------------------------------
ik = 128 coord.: 0.1350000 0.1350000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.3806 eV Re[Sigma]= -20.3000 meV Im[Sigma]= 93.3715 meV Z= 1.1714
E( 3 )= -1.3806 eV Re[Sigma]= -20.2689 meV Im[Sigma]= 93.2507 meV Z= 1.1712
E( 4 )= -0.8869 eV Re[Sigma]= 27.6116 meV Im[Sigma]= 91.6662 meV Z= 1.0839
-------------------------------------------------------------------
ik = 129 coord.: 0.1400000 0.1400000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.4930 eV Re[Sigma]= -35.6728 meV Im[Sigma]= 69.9342 meV Z= 1.0898
E( 3 )= -1.4930 eV Re[Sigma]= -35.6398 meV Im[Sigma]= 69.8737 meV Z= 1.0900
E( 4 )= -0.9853 eV Re[Sigma]= 20.1893 meV Im[Sigma]= 94.7690 meV Z= 1.0649
-------------------------------------------------------------------
ik = 130 coord.: 0.1450000 0.1450000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.6054 eV Re[Sigma]= -31.9959 meV Im[Sigma]= 35.3934 meV Z= 0.9334
E( 3 )= -1.6054 eV Re[Sigma]= -31.9902 meV Im[Sigma]= 35.3345 meV Z= 0.9334
E( 4 )= -1.0860 eV Re[Sigma]= 11.3833 meV Im[Sigma]= 99.0930 meV Z= 1.1000
-------------------------------------------------------------------
ik = 131 coord.: 0.1500000 0.1500000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.7176 eV Re[Sigma]= -24.9922 meV Im[Sigma]= 30.1861 meV Z= 0.9428
E( 3 )= -1.7176 eV Re[Sigma]= -24.9833 meV Im[Sigma]= 30.0917 meV Z= 0.9428
E( 4 )= -1.1890 eV Re[Sigma]= 2.0053 meV Im[Sigma]= 103.8618 meV Z= 1.1380
-------------------------------------------------------------------
ik = 132 coord.: 0.1550000 0.1550000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.8295 eV Re[Sigma]= -20.7506 meV Im[Sigma]= 32.0730 meV Z= 0.9746
E( 3 )= -1.8295 eV Re[Sigma]= -20.7362 meV Im[Sigma]= 31.9783 meV Z= 0.9745
E( 4 )= -1.2944 eV Re[Sigma]= -11.7171 meV Im[Sigma]= 107.9360 meV Z= 1.1643
-------------------------------------------------------------------
ik = 133 coord.: 0.1600000 0.1600000 0.0000000
-------------------------------------------------------------------
E( 2 )= -1.9408 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -1.9408 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.4022 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 134 coord.: 0.1650000 0.1650000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.0514 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.0514 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.5122 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 135 coord.: 0.1700000 0.1700000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.1612 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.1612 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.6246 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 136 coord.: 0.1750000 0.1750000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.2699 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.2699 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.7392 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 137 coord.: 0.1800000 0.1800000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.3776 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.3776 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.8562 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 138 coord.: 0.1850000 0.1850000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.4840 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.4840 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -1.9756 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 139 coord.: 0.1900000 0.1900000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.5891 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.5891 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.0972 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 140 coord.: 0.1950000 0.1950000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.6928 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.6928 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.2212 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 141 coord.: 0.2000000 0.2000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.7950 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.7950 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.3475 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 142 coord.: 0.2050000 0.2050000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.8958 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.8958 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.4762 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 143 coord.: 0.2100000 0.2100000 0.0000000
-------------------------------------------------------------------
E( 2 )= -2.9949 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -2.9949 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.6071 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 144 coord.: 0.2150000 0.2150000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.0925 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.0925 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.7404 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 145 coord.: 0.2200000 0.2200000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.1884 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.1884 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -2.8761 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 146 coord.: 0.2250000 0.2250000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.2826 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.2826 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.0140 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 147 coord.: 0.2300000 0.2300000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.3752 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.3752 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.1542 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 148 coord.: 0.2350000 0.2350000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.4661 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.4661 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.2966 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 149 coord.: 0.2400000 0.2400000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.5553 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.5553 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.4413 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 150 coord.: 0.2450000 0.2450000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.6428 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.6428 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.5882 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 151 coord.: 0.2500000 0.2500000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.7372 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.7287 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.7287 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 152 coord.: 0.2550000 0.2550000 0.0000000
-------------------------------------------------------------------
E( 2 )= -3.8882 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.8128 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.8128 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 153 coord.: 0.2600000 0.2600000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.0413 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.8953 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.8953 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 154 coord.: 0.2650000 0.2650000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.1964 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -3.9761 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -3.9761 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 155 coord.: 0.2700000 0.2700000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.3534 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.0552 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.0552 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 156 coord.: 0.2750000 0.2750000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.5123 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.1327 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.1327 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 157 coord.: 0.2800000 0.2800000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.6729 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.2086 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.2086 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 158 coord.: 0.2850000 0.2850000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.8352 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.2829 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.2829 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 159 coord.: 0.2900000 0.2900000 0.0000000
-------------------------------------------------------------------
E( 2 )= -4.9991 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.3555 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.3555 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 160 coord.: 0.2950000 0.2950000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.1645 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.4266 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.4266 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 161 coord.: 0.3000000 0.3000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.3314 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.4960 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.4960 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 162 coord.: 0.3050000 0.3050000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.4996 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.5639 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.5639 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 163 coord.: 0.3100000 0.3100000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.6690 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.6302 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.6302 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 164 coord.: 0.3150000 0.3150000 0.0000000
-------------------------------------------------------------------
E( 2 )= -5.8396 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.6949 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.6949 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 165 coord.: 0.3200000 0.3200000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.0113 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.7581 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.7581 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 166 coord.: 0.3250000 0.3250000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.1839 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.8198 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.8198 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 167 coord.: 0.3300000 0.3300000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.3574 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.8799 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.8799 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 168 coord.: 0.3350000 0.3350000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.5317 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.9384 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.9384 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 169 coord.: 0.3400000 0.3400000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.7067 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -4.9954 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -4.9954 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 170 coord.: 0.3450000 0.3450000 0.0000000
-------------------------------------------------------------------
E( 2 )= -6.8822 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.0509 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.0509 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 171 coord.: 0.3500000 0.3500000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.0582 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.1048 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.1048 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 172 coord.: 0.3550000 0.3550000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.2346 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.1572 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.1572 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 173 coord.: 0.3600000 0.3600000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.4114 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.2080 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.2080 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 174 coord.: 0.3650000 0.3650000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.5883 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.2573 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.2573 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 175 coord.: 0.3700000 0.3700000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.7654 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.3050 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.3050 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 176 coord.: 0.3750000 0.3750000 0.0000000
-------------------------------------------------------------------
E( 2 )= -7.9425 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.3510 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.3510 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 177 coord.: 0.3800000 0.3800000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.1195 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.3955 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.3955 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 178 coord.: 0.3850000 0.3850000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.2965 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.4384 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.4384 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 179 coord.: 0.3900000 0.3900000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.4732 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.4797 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.4797 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 180 coord.: 0.3950000 0.3950000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.6497 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.5193 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.5193 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 181 coord.: 0.4000000 0.4000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -8.8258 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.5572 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.5572 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 182 coord.: 0.4050000 0.4050000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.0015 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.5935 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.5935 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 183 coord.: 0.4100000 0.4100000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.1768 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.6280 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.6280 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 184 coord.: 0.4150000 0.4150000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.3515 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.6609 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.6609 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 185 coord.: 0.4200000 0.4200000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.5257 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.6920 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.6920 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 186 coord.: 0.4250000 0.4250000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.6992 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.7214 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.7214 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 187 coord.: 0.4300000 0.4300000 0.0000000
-------------------------------------------------------------------
E( 2 )= -9.8720 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.7489 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.7489 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 188 coord.: 0.4350000 0.4350000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.0442 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.7747 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.7747 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 189 coord.: 0.4400000 0.4400000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.2155 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.7987 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.7987 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 190 coord.: 0.4450000 0.4450000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.3861 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.8208 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.8208 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 191 coord.: 0.4500000 0.4500000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.5559 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.8411 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.8411 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 192 coord.: 0.4550000 0.4550000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.7249 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.8595 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.8595 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 193 coord.: 0.4600000 0.4600000 0.0000000
-------------------------------------------------------------------
E( 2 )= -10.8930 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.8760 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.8760 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 194 coord.: 0.4650000 0.4650000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.0602 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.8906 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.8906 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 195 coord.: 0.4700000 0.4700000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.2265 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9032 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9032 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 196 coord.: 0.4750000 0.4750000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.3920 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9140 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9140 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 197 coord.: 0.4800000 0.4800000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.5566 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9228 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9228 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 198 coord.: 0.4850000 0.4850000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.7203 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9297 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9297 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 199 coord.: 0.4900000 0.4900000 0.0000000
-------------------------------------------------------------------
E( 2 )= -11.8831 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9346 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9346 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 200 coord.: 0.4950000 0.4950000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.0450 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9375 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9375 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
ik = 201 coord.: 0.5000000 0.5000000 0.0000000
-------------------------------------------------------------------
E( 2 )= -12.2060 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 3 )= -5.9385 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
E( 4 )= -5.9385 eV Re[Sigma]= 0.0000 meV Im[Sigma]= 0.0000 meV Z= 1.0000
-------------------------------------------------------------------
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2 2 -13.1594 0.0000 0.0000 0.5000
3 2 -13.1301 0.0000 0.0000 0.5000
4 2 -13.0829 0.0000 0.0000 0.5000
5 2 -13.0197 0.0000 0.0000 0.5000
6 2 -12.9428 0.0000 0.0000 0.5000
7 2 -12.8542 0.0000 0.0000 0.5000
8 2 -12.7559 0.0000 0.0000 0.5000
9 2 -12.6494 0.0000 0.0000 0.5000
10 2 -12.5361 0.0000 0.0000 0.5000
11 2 -12.4169 0.0000 0.0000 0.5000
12 2 -12.2927 0.0000 0.0000 0.5000
13 2 -12.1641 0.0000 0.0000 0.5000
14 2 -12.0318 0.0000 0.0000 0.5000
15 2 -11.8962 0.0000 0.0000 0.5000
16 2 -11.7576 0.0000 0.0000 0.5000
17 2 -11.6163 0.0000 0.0000 0.5000
18 2 -11.4726 0.0000 0.0000 0.5000
19 2 -11.3267 0.0000 0.0000 0.5000
20 2 -11.1788 0.0000 0.0000 0.5000
21 2 -11.0291 0.0000 0.0000 0.5000
22 2 -10.8777 0.0000 0.0000 0.5000
23 2 -10.7248 0.0000 0.0000 0.5000
24 2 -10.5705 0.0000 0.0000 0.5000
25 2 -10.4149 0.0000 0.0000 0.5000
26 2 -10.2581 0.0000 0.0000 0.5000
27 2 -10.1003 0.0000 0.0000 0.5000
28 2 -9.9414 0.0000 0.0000 0.5000
29 2 -9.7817 0.0000 0.0000 0.5000
30 2 -9.6211 0.0000 0.0000 0.5000
31 2 -9.4597 0.0000 0.0000 0.5000
32 2 -9.2976 0.0000 0.0000 0.5000
33 2 -9.1349 0.0000 0.0000 0.5000
34 2 -8.9717 0.0000 0.0000 0.5000
35 2 -8.8078 0.0000 0.0000 0.5000
36 2 -8.6435 0.0000 0.0000 0.5000
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38 2 -8.3134 0.0000 0.0000 0.5000
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47 2 -6.8073 0.0000 0.0000 0.5000
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52 2 -5.9547 -12.4497 6.5450 0.4996
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54 2 -5.6100 -12.9243 7.1819 0.5000
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63 2 -4.0342 -15.8627 12.2047 0.5042
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90 2 0.0649 43.4025 11.7403 0.5246
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92 2 0.2334 42.2239 43.9857 0.4821
93 2 0.3061 47.7148 46.7265 0.4812
94 2 0.3708 52.5181 43.2483 0.4849
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98 2 0.5458 60.8827 29.8580 0.4944
99 2 0.5679 61.4770 27.4836 0.4957
100 2 0.5812 61.8262 26.0621 0.4967
101 2 0.5857 61.9550 25.5973 0.4972
102 2 0.5822 61.8742 26.0454 0.4967
103 2 0.5718 61.6013 27.1540 0.4958
104 2 0.5545 61.0712 29.0288 0.4948
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106 2 0.4995 58.9271 34.0027 0.4913
107 2 0.4621 57.2654 36.9723 0.4894
108 2 0.4184 54.8299 39.7445 0.4887
109 2 0.3684 51.9480 43.0271 0.4842
110 2 0.3125 47.7429 45.3300 0.4824
111 2 0.2508 43.2485 44.5131 0.4823
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120 2 -0.5143 46.5400 67.6065 0.4888
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128 2 -1.3806 -20.3000 93.3715 0.4605
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200 2 -12.0450 0.0000 0.0000 0.5000
201 2 -12.2060 0.0000 0.0000 0.5000
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3 3 -2.3031 0.0000 0.0000 0.5000
4 3 -2.3008 0.0000 0.0000 0.5000
5 3 -2.2977 0.0000 0.0000 0.5000
6 3 -2.2936 0.0000 0.0000 0.5000
7 3 -2.2886 0.0000 0.0000 0.5000
8 3 -2.2828 0.0000 0.0000 0.5000
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10 3 -2.2684 0.0000 0.0000 0.5000
11 3 -2.2598 0.0000 0.0000 0.5000
12 3 -2.2503 0.0000 0.0000 0.5000
13 3 -2.2400 0.0000 0.0000 0.5000
14 3 -2.2287 0.0000 0.0000 0.5000
15 3 -2.2166 0.0000 0.0000 0.5000
16 3 -2.2035 0.0000 0.0000 0.5000
17 3 -2.1896 0.0000 0.0000 0.5000
18 3 -2.1748 0.0000 0.0000 0.5000
19 3 -2.1591 0.0000 0.0000 0.5000
20 3 -2.1425 0.0000 0.0000 0.5000
21 3 -2.1250 0.0000 0.0000 0.5000
22 3 -2.1067 0.0000 0.0000 0.5000
23 3 -2.0875 0.0000 0.0000 0.5000
24 3 -2.0674 0.0000 0.0000 0.5000
25 3 -2.0465 0.0000 0.0000 0.5000
26 3 -2.0247 0.0000 0.0000 0.5000
27 3 -2.0021 0.0000 0.0000 0.5000
28 3 -1.9787 0.0000 0.0000 0.5000
29 3 -1.9544 0.0000 0.0000 0.5000
30 3 -1.9293 0.0000 0.0000 0.5000
31 3 -1.9034 0.0000 0.0000 0.5000
32 3 -1.8767 0.0000 0.0000 0.5000
33 3 -1.8492 0.0000 0.0000 0.5000
34 3 -1.8209 0.0000 0.0000 0.5000
35 3 -1.7918 0.0000 0.0000 0.5000
36 3 -1.7620 0.0000 0.0000 0.5000
37 3 -1.7314 0.0000 0.0000 0.5000
38 3 -1.7000 0.0000 0.0000 0.5000
39 3 -1.6679 0.0000 0.0000 0.5000
40 3 -1.6350 0.0000 0.0000 0.5000
41 3 -1.6015 0.0000 0.0000 0.5000
42 3 -1.5671 0.0000 0.0000 0.5000
43 3 -1.5321 0.0000 0.0000 0.5000
44 3 -1.4964 0.0000 0.0000 0.5000
45 3 -1.4599 0.0000 0.0000 0.5000
46 3 -1.4228 0.0000 0.0000 0.5000
47 3 -1.3849 0.0000 0.0000 0.5000
48 3 -1.3464 -17.1224 97.1656 0.4629
49 3 -1.3072 -12.2416 96.8811 0.4665
50 3 -1.2674 -6.7038 95.9507 0.4675
51 3 -1.2269 -2.4148 93.4557 0.4761
52 3 -1.1857 1.9378 92.4727 0.4767
53 3 -1.1440 5.4789 90.3069 0.4822
54 3 -1.1016 9.3372 90.1788 0.4776
55 3 -1.0587 12.9752 88.2835 0.4831
56 3 -1.0152 16.2040 87.2310 0.4826
57 3 -0.9711 19.1868 85.6651 0.4861
58 3 -0.9265 22.4909 85.2365 0.4809
59 3 -0.8814 25.7057 83.0330 0.4855
60 3 -0.8359 28.7350 81.2345 0.4860
61 3 -0.7899 31.2566 78.9901 0.4886
62 3 -0.7435 33.9295 77.6568 0.4856
63 3 -0.6968 36.4418 76.1414 0.4865
64 3 -0.6498 39.0770 74.0267 0.4889
65 3 -0.6025 41.2348 72.8689 0.4876
66 3 -0.5550 44.3733 71.5019 0.4855
67 3 -0.5074 47.0517 68.9716 0.4869
68 3 -0.4597 49.8303 66.5070 0.4888
69 3 -0.4120 52.1574 63.7794 0.4892
70 3 -0.3643 54.8744 61.8316 0.4870
71 3 -0.3168 57.5796 59.3380 0.4862
72 3 -0.2695 60.1513 55.0182 0.4874
73 3 -0.2225 62.5590 48.9889 0.4877
74 3 -0.1759 64.0784 37.3649 0.5009
75 3 -0.1297 62.5440 24.6818 0.5150
76 3 -0.0841 59.3600 14.3933 0.5253
77 3 -0.0392 54.6725 7.9746 0.5295
78 3 0.0050 49.1758 6.5074 0.5294
79 3 0.0482 44.0517 9.2691 0.5261
80 3 0.0906 40.4693 15.1860 0.5191
81 3 0.1318 38.4173 22.7953 0.5098
82 3 0.1719 38.2533 32.3903 0.4961
83 3 0.2107 40.1222 39.5117 0.4871
84 3 0.2481 42.5467 43.5094 0.4820
85 3 0.2840 45.2929 45.3034 0.4817
86 3 0.3183 48.0313 44.6674 0.4825
87 3 0.3509 50.4030 43.1182 0.4847
88 3 0.3818 52.5505 41.4100 0.4864
89 3 0.4107 54.3044 39.3891 0.4896
90 3 0.4378 55.6796 37.7461 0.4901
91 3 0.4627 56.9942 36.2285 0.4903
92 3 0.4856 58.0805 34.6206 0.4908
93 3 0.5062 59.0447 33.1778 0.4910
94 3 0.5246 59.8943 31.6519 0.4927
95 3 0.5406 60.4964 30.1785 0.4937
96 3 0.5543 61.0646 28.9542 0.4948
97 3 0.5655 61.4487 27.8604 0.4957
98 3 0.5743 61.7341 26.9165 0.4963
99 3 0.5806 61.8858 26.2324 0.4967
100 3 0.5844 62.0301 25.8157 0.4970
101 3 0.5857 62.0153 25.6530 0.4972
102 3 0.5822 61.7440 25.9237 0.4967
103 3 0.5718 61.4689 27.0162 0.4959
104 3 0.5545 60.9372 28.8628 0.4949
105 3 0.5303 60.1373 31.2801 0.4930
106 3 0.4995 58.8061 33.7507 0.4915
107 3 0.4621 57.1617 36.6734 0.4896
108 3 0.4184 54.7551 39.4101 0.4889
109 3 0.3684 51.9078 42.6778 0.4845
110 3 0.3125 47.7409 44.9820 0.4826
111 3 0.2508 43.2823 44.1781 0.4825
112 3 0.1836 38.6913 35.4341 0.4919
113 3 0.1113 39.4754 18.5693 0.5151
114 3 0.0341 45.7835 7.8762 0.5277
115 3 -0.0478 55.1525 9.1794 0.5287
116 3 -0.1338 62.8769 25.9304 0.5138
117 3 -0.2239 62.2511 48.9345 0.4878
118 3 -0.3175 57.2362 58.1372 0.4886
119 3 -0.4144 51.8344 64.0880 0.4863
120 3 -0.5143 46.5942 67.5299 0.4888
121 3 -0.6167 40.6010 71.2264 0.4894
122 3 -0.7215 35.6053 74.9019 0.4870
123 3 -0.8282 29.0516 79.3672 0.4838
124 3 -0.9365 22.3868 82.5725 0.4831
125 3 -1.0462 14.8502 86.3734 0.4790
126 3 -1.1570 5.3692 89.3474 0.4781
127 3 -1.2685 -6.6350 92.4123 0.4720
128 3 -1.3806 -20.2689 93.2507 0.4606
129 3 -1.4930 -35.6398 69.8737 0.4785
130 3 -1.6054 -31.9902 35.3345 0.5172
131 3 -1.7176 -24.9833 30.0917 0.5147
132 3 -1.8295 -20.7362 31.9783 0.5065
133 3 -1.9408 0.0000 0.0000 0.5000
134 3 -2.0514 0.0000 0.0000 0.5000
135 3 -2.1612 0.0000 0.0000 0.5000
136 3 -2.2699 0.0000 0.0000 0.5000
137 3 -2.3776 0.0000 0.0000 0.5000
138 3 -2.4840 0.0000 0.0000 0.5000
139 3 -2.5891 0.0000 0.0000 0.5000
140 3 -2.6928 0.0000 0.0000 0.5000
141 3 -2.7950 0.0000 0.0000 0.5000
142 3 -2.8958 0.0000 0.0000 0.5000
143 3 -2.9949 0.0000 0.0000 0.5000
144 3 -3.0925 0.0000 0.0000 0.5000
145 3 -3.1884 0.0000 0.0000 0.5000
146 3 -3.2826 0.0000 0.0000 0.5000
147 3 -3.3752 0.0000 0.0000 0.5000
148 3 -3.4661 0.0000 0.0000 0.5000
149 3 -3.5553 0.0000 0.0000 0.5000
150 3 -3.6428 0.0000 0.0000 0.5000
151 3 -3.7287 0.0000 0.0000 0.5000
152 3 -3.8128 0.0000 0.0000 0.5000
153 3 -3.8953 0.0000 0.0000 0.5000
154 3 -3.9761 0.0000 0.0000 0.5000
155 3 -4.0552 0.0000 0.0000 0.5000
156 3 -4.1327 0.0000 0.0000 0.5000
157 3 -4.2086 0.0000 0.0000 0.5000
158 3 -4.2829 0.0000 0.0000 0.5000
159 3 -4.3555 0.0000 0.0000 0.5000
160 3 -4.4266 0.0000 0.0000 0.5000
161 3 -4.4960 0.0000 0.0000 0.5000
162 3 -4.5639 0.0000 0.0000 0.5000
163 3 -4.6302 0.0000 0.0000 0.5000
164 3 -4.6949 0.0000 0.0000 0.5000
165 3 -4.7581 0.0000 0.0000 0.5000
166 3 -4.8198 0.0000 0.0000 0.5000
167 3 -4.8799 0.0000 0.0000 0.5000
168 3 -4.9384 0.0000 0.0000 0.5000
169 3 -4.9954 0.0000 0.0000 0.5000
170 3 -5.0509 0.0000 0.0000 0.5000
171 3 -5.1048 0.0000 0.0000 0.5000
172 3 -5.1572 0.0000 0.0000 0.5000
173 3 -5.2080 0.0000 0.0000 0.5000
174 3 -5.2573 0.0000 0.0000 0.5000
175 3 -5.3050 0.0000 0.0000 0.5000
176 3 -5.3510 0.0000 0.0000 0.5000
177 3 -5.3955 0.0000 0.0000 0.5000
178 3 -5.4384 0.0000 0.0000 0.5000
179 3 -5.4797 0.0000 0.0000 0.5000
180 3 -5.5193 0.0000 0.0000 0.5000
181 3 -5.5572 0.0000 0.0000 0.5000
182 3 -5.5935 0.0000 0.0000 0.5000
183 3 -5.6280 0.0000 0.0000 0.5000
184 3 -5.6609 0.0000 0.0000 0.5000
185 3 -5.6920 0.0000 0.0000 0.5000
186 3 -5.7214 0.0000 0.0000 0.5000
187 3 -5.7489 0.0000 0.0000 0.5000
188 3 -5.7747 0.0000 0.0000 0.5000
189 3 -5.7987 0.0000 0.0000 0.5000
190 3 -5.8208 0.0000 0.0000 0.5000
191 3 -5.8411 0.0000 0.0000 0.5000
192 3 -5.8595 0.0000 0.0000 0.5000
193 3 -5.8760 0.0000 0.0000 0.5000
194 3 -5.8906 0.0000 0.0000 0.5000
195 3 -5.9032 0.0000 0.0000 0.5000
196 3 -5.9140 0.0000 0.0000 0.5000
197 3 -5.9228 0.0000 0.0000 0.5000
198 3 -5.9297 0.0000 0.0000 0.5000
199 3 -5.9346 0.0000 0.0000 0.5000
200 3 -5.9375 0.0000 0.0000 0.5000
201 3 -5.9385 0.0000 0.0000 0.5000
1 4 -2.3049 0.0000 0.0000 0.5000
2 4 -2.3044 0.0000 0.0000 0.5000
3 4 -2.3031 0.0000 0.0000 0.5000
4 4 -2.3008 0.0000 0.0000 0.5000
5 4 -2.2977 0.0000 0.0000 0.5000
6 4 -2.2936 0.0000 0.0000 0.5000
7 4 -2.2886 0.0000 0.0000 0.5000
8 4 -2.2828 0.0000 0.0000 0.5000
9 4 -2.2760 0.0000 0.0000 0.5000
10 4 -2.2684 0.0000 0.0000 0.5000
11 4 -2.2598 0.0000 0.0000 0.5000
12 4 -2.2503 0.0000 0.0000 0.5000
13 4 -2.2400 0.0000 0.0000 0.5000
14 4 -2.2287 0.0000 0.0000 0.5000
15 4 -2.2166 0.0000 0.0000 0.5000
16 4 -2.2035 0.0000 0.0000 0.5000
17 4 -2.1896 0.0000 0.0000 0.5000
18 4 -2.1748 0.0000 0.0000 0.5000
19 4 -2.1591 0.0000 0.0000 0.5000
20 4 -2.1425 0.0000 0.0000 0.5000
21 4 -2.1250 0.0000 0.0000 0.5000
22 4 -2.1067 0.0000 0.0000 0.5000
23 4 -2.0875 0.0000 0.0000 0.5000
24 4 -2.0674 0.0000 0.0000 0.5000
25 4 -2.0465 0.0000 0.0000 0.5000
26 4 -2.0247 0.0000 0.0000 0.5000
27 4 -2.0021 0.0000 0.0000 0.5000
28 4 -1.9787 0.0000 0.0000 0.5000
29 4 -1.9544 0.0000 0.0000 0.5000
30 4 -1.9293 0.0000 0.0000 0.5000
31 4 -1.9034 0.0000 0.0000 0.5000
32 4 -1.8767 0.0000 0.0000 0.5000
33 4 -1.8492 0.0000 0.0000 0.5000
34 4 -1.8209 0.0000 0.0000 0.5000
35 4 -1.7918 0.0000 0.0000 0.5000
36 4 -1.7620 0.0000 0.0000 0.5000
37 4 -1.7314 0.0000 0.0000 0.5000
38 4 -1.7000 0.0000 0.0000 0.5000
39 4 -1.6679 0.0000 0.0000 0.5000
40 4 -1.6350 0.0000 0.0000 0.5000
41 4 -1.6015 0.0000 0.0000 0.5000
42 4 -1.5671 0.0000 0.0000 0.5000
43 4 -1.5321 0.0000 0.0000 0.5000
44 4 -1.4964 0.0000 0.0000 0.5000
45 4 -1.4599 0.0000 0.0000 0.5000
46 4 -1.4228 0.0000 0.0000 0.5000
47 4 -1.3849 0.0000 0.0000 0.5000
48 4 -1.3464 -17.1140 97.2085 0.4629
49 4 -1.3072 -12.2194 96.9171 0.4665
50 4 -1.2674 -6.6759 95.9739 0.4675
51 4 -1.2269 -2.3819 93.4716 0.4761
52 4 -1.1857 1.9740 92.4790 0.4767
53 4 -1.1440 5.5154 90.3092 0.4822
54 4 -1.1016 9.3741 90.1704 0.4776
55 4 -1.0587 13.0083 88.2720 0.4831
56 4 -1.0152 16.2362 87.2179 0.4826
57 4 -0.9711 19.2103 85.6549 0.4861
58 4 -0.9265 22.5107 85.2300 0.4810
59 4 -0.8814 25.7185 83.0302 0.4855
60 4 -0.8359 28.7448 81.2380 0.4860
61 4 -0.7899 31.2663 79.0044 0.4886
62 4 -0.7435 33.9369 77.6696 0.4856
63 4 -0.6968 36.4481 76.1668 0.4865
64 4 -0.6498 39.0835 74.0577 0.4889
65 4 -0.6025 41.2421 72.9106 0.4876
66 4 -0.5550 44.3813 71.5533 0.4855
67 4 -0.5074 47.0648 69.0323 0.4869
68 4 -0.4597 49.8497 66.5734 0.4888
69 4 -0.4120 52.1872 63.8504 0.4892
70 4 -0.3643 54.9131 61.8970 0.4870
71 4 -0.3168 57.6282 59.4005 0.4861
72 4 -0.2695 60.2084 55.0710 0.4874
73 4 -0.2225 62.6232 49.0311 0.4877
74 4 -0.1759 64.1487 37.3900 0.5009
75 4 -0.1297 62.6170 24.6823 0.5151
76 4 -0.0841 59.4302 14.3688 0.5253
77 4 -0.0392 54.7379 7.9289 0.5296
78 4 0.0050 49.2336 6.4416 0.5295
79 4 0.0482 44.1003 9.1909 0.5262
80 4 0.0906 40.5083 15.0980 0.5191
81 4 0.1318 38.4455 22.7015 0.5099
82 4 0.1719 38.2733 32.2935 0.4962
83 4 0.2107 40.1341 39.4037 0.4872
84 4 0.2481 42.5481 43.3899 0.4821
85 4 0.2840 45.2831 45.1701 0.4818
86 4 0.3183 48.0075 44.5230 0.4826
87 4 0.3509 50.3655 42.9688 0.4848
88 4 0.3818 52.4989 41.2580 0.4865
89 4 0.4107 54.2399 39.2389 0.4897
90 4 0.4378 55.6028 37.5997 0.4902
91 4 0.4627 56.9055 36.0874 0.4904
92 4 0.4856 57.9808 34.4867 0.4909
93 4 0.5062 58.9362 33.0514 0.4911
94 4 0.5246 59.7787 31.5328 0.4928
95 4 0.5406 60.3752 30.0665 0.4938
96 4 0.5543 60.9391 28.8481 0.4948
97 4 0.5655 61.3206 27.7594 0.4957
98 4 0.5743 61.6043 26.8197 0.4963
99 4 0.5806 61.7548 26.1393 0.4967
100 4 0.5844 61.8982 25.7255 0.4970
101 4 0.5857 61.9116 25.5634 0.4972
102 4 0.5833 61.8807 25.8980 0.4968
103 4 0.5763 61.7527 26.6932 0.4960
104 4 0.5647 61.4307 27.9777 0.4954
105 4 0.5484 61.0467 29.7331 0.4944
106 4 0.5276 60.2548 31.6346 0.4929
107 4 0.5023 59.3541 33.7225 0.4922
108 4 0.4725 58.0059 36.1182 0.4903
109 4 0.4384 56.4250 38.3852 0.4906
110 4 0.4001 54.4968 41.3610 0.4872
111 4 0.3576 51.8430 44.0510 0.4845
112 4 0.3112 48.5598 46.2883 0.4819
113 4 0.2607 44.6457 46.4090 0.4803
114 4 0.2065 40.9409 40.7720 0.4860
115 4 0.1486 39.2695 30.0638 0.5010
116 4 0.0872 42.1338 15.6980 0.5204
117 4 0.0224 49.4858 7.3923 0.5300
118 4 -0.0458 57.7928 9.5653 0.5306
119 4 -0.1172 65.0602 23.2553 0.5189
120 4 -0.1916 67.3358 44.1164 0.4967
121 4 -0.2690 63.4819 59.2051 0.4871
122 4 -0.3493 59.1823 65.6547 0.4866
123 4 -0.4324 54.4298 70.6366 0.4861
124 4 -0.5182 49.8197 74.9808 0.4866
125 4 -0.6066 44.1604 78.9550 0.4873
126 4 -0.6976 39.4758 82.5515 0.4866
127 4 -0.7910 34.0002 86.7180 0.4849
128 4 -0.8869 27.6116 91.6662 0.4799
129 4 -0.9853 20.1893 94.7690 0.4843
130 4 -1.0860 11.3833 99.0930 0.4762
131 4 -1.1890 2.0053 103.8618 0.4677
132 4 -1.2944 -11.7171 107.9360 0.4620
133 4 -1.4022 0.0000 0.0000 0.5000
134 4 -1.5122 0.0000 0.0000 0.5000
135 4 -1.6246 0.0000 0.0000 0.5000
136 4 -1.7392 0.0000 0.0000 0.5000
137 4 -1.8562 0.0000 0.0000 0.5000
138 4 -1.9756 0.0000 0.0000 0.5000
139 4 -2.0972 0.0000 0.0000 0.5000
140 4 -2.2212 0.0000 0.0000 0.5000
141 4 -2.3475 0.0000 0.0000 0.5000
142 4 -2.4762 0.0000 0.0000 0.5000
143 4 -2.6071 0.0000 0.0000 0.5000
144 4 -2.7404 0.0000 0.0000 0.5000
145 4 -2.8761 0.0000 0.0000 0.5000
146 4 -3.0140 0.0000 0.0000 0.5000
147 4 -3.1542 0.0000 0.0000 0.5000
148 4 -3.2966 0.0000 0.0000 0.5000
149 4 -3.4413 0.0000 0.0000 0.5000
150 4 -3.5882 0.0000 0.0000 0.5000
151 4 -3.7287 0.0000 0.0000 0.5000
152 4 -3.8128 0.0000 0.0000 0.5000
153 4 -3.8953 0.0000 0.0000 0.5000
154 4 -3.9761 0.0000 0.0000 0.5000
155 4 -4.0552 0.0000 0.0000 0.5000
156 4 -4.1327 0.0000 0.0000 0.5000
157 4 -4.2086 0.0000 0.0000 0.5000
158 4 -4.2829 0.0000 0.0000 0.5000
159 4 -4.3555 0.0000 0.0000 0.5000
160 4 -4.4266 0.0000 0.0000 0.5000
161 4 -4.4960 0.0000 0.0000 0.5000
162 4 -4.5639 0.0000 0.0000 0.5000
163 4 -4.6302 0.0000 0.0000 0.5000
164 4 -4.6949 0.0000 0.0000 0.5000
165 4 -4.7581 0.0000 0.0000 0.5000
166 4 -4.8198 0.0000 0.0000 0.5000
167 4 -4.8799 0.0000 0.0000 0.5000
168 4 -4.9384 0.0000 0.0000 0.5000
169 4 -4.9954 0.0000 0.0000 0.5000
170 4 -5.0509 0.0000 0.0000 0.5000
171 4 -5.1048 0.0000 0.0000 0.5000
172 4 -5.1572 0.0000 0.0000 0.5000
173 4 -5.2080 0.0000 0.0000 0.5000
174 4 -5.2573 0.0000 0.0000 0.5000
175 4 -5.3050 0.0000 0.0000 0.5000
176 4 -5.3510 0.0000 0.0000 0.5000
177 4 -5.3955 0.0000 0.0000 0.5000
178 4 -5.4384 0.0000 0.0000 0.5000
179 4 -5.4797 0.0000 0.0000 0.5000
180 4 -5.5193 0.0000 0.0000 0.5000
181 4 -5.5572 0.0000 0.0000 0.5000
182 4 -5.5935 0.0000 0.0000 0.5000
183 4 -5.6280 0.0000 0.0000 0.5000
184 4 -5.6609 0.0000 0.0000 0.5000
185 4 -5.6920 0.0000 0.0000 0.5000
186 4 -5.7214 0.0000 0.0000 0.5000
187 4 -5.7489 0.0000 0.0000 0.5000
188 4 -5.7747 0.0000 0.0000 0.5000
189 4 -5.7987 0.0000 0.0000 0.5000
190 4 -5.8208 0.0000 0.0000 0.5000
191 4 -5.8411 0.0000 0.0000 0.5000
192 4 -5.8595 0.0000 0.0000 0.5000
193 4 -5.8760 0.0000 0.0000 0.5000
194 4 -5.8906 0.0000 0.0000 0.5000
195 4 -5.9032 0.0000 0.0000 0.5000
196 4 -5.9140 0.0000 0.0000 0.5000
197 4 -5.9228 0.0000 0.0000 0.5000
198 4 -5.9297 0.0000 0.0000 0.5000
199 4 -5.9346 0.0000 0.0000 0.5000
200 4 -5.9375 0.0000 0.0000 0.5000
201 4 -5.9385 0.0000 0.0000 0.5000
INITIALIZATION:
init_vloc : 0.00s CPU 0.00s WALL ( 2 calls)
init_us_1 : 0.03s CPU 0.03s WALL ( 2 calls)
Electron-Phonon interpolation
ephwann : 1841.53s CPU 2164.07s WALL ( 1 calls)
ep-interp : 1831.58s CPU 2153.99s WALL ( 125000 calls)
DynW2B : 8.75s CPU 8.56s WALL ( 125000 calls)
HamW2B : 184.48s CPU 187.26s WALL ( 6500052 calls)
ephW2Bp : 1378.50s CPU 1694.63s WALL ( 125000 calls)
Total program execution
EPW : 30m46.16s CPU 36m 8.80s WALL
--------------------------------------------------------------------------
mpirun has exited due to process rank 1 with PID 14957 on
node magneto exiting improperly. There are three reasons this could occur:
1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.
2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"
3. this process called "MPI_Abort" or "orte_abort" and the mca parameter
orte_create_session_dirs is set to false. In this case, the run-time cannot
detect that the abort call was an abnormal termination. Hence, the only
error message you will receive is this one.
This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
You can avoid this message by specifying -quiet on the mpirun command line.
--------------------------------------------------------------------------
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