mirror of https://github.com/abinit/abinit.git
158 lines
11 KiB
Plaintext
158 lines
11 KiB
Plaintext
#calculated the component: 1 2 3
|
|
#tolerance: 1.000000E-03
|
|
#broadening: 1.000000E-03Ha
|
|
#scissors shift: 0.000000E+00Ha
|
|
#energy window: 3.764934E+01eV 1.383588E+00Ha
|
|
# Energy(eV) Inter(2w) inter(1w) intra(2w) intra(1w)
|
|
# in esu
|
|
#
|
|
0.054423 -8.111299E-03 1.824876E-03 2.421734E-02 -1.511528E-03
|
|
0.108846 -1.629879E-02 3.657695E-03 4.878819E-02 -3.028546E-03
|
|
0.163268 -2.464095E-02 5.506479E-03 7.407957E-02 -4.556598E-03
|
|
0.217691 -3.322096E-02 7.379418E-03 1.004866E-01 -6.101332E-03
|
|
0.272114 -4.212948E-02 9.284952E-03 1.284492E-01 -7.668555E-03
|
|
0.326537 -5.146791E-02 1.123186E-02 1.584720E-01 -9.264294E-03
|
|
0.380959 -6.135247E-02 1.322938E-02 1.911502E-01 -1.089485E-02
|
|
0.435382 -7.191946E-02 1.528727E-02 2.272023E-01 -1.256689E-02
|
|
0.489805 -8.333225E-02 1.741598E-02 2.675156E-01 -1.428747E-02
|
|
0.544228 -9.579079E-02 1.962672E-02 3.132078E-01 -1.606418E-02
|
|
0.598650 -1.095449E-01 2.193169E-02 3.657151E-01 -1.790518E-02
|
|
0.653073 -1.249135E-01 2.434417E-02 4.269187E-01 -1.981935E-02
|
|
0.707496 -1.423123E-01 2.687874E-02 4.993338E-01 -2.181638E-02
|
|
0.761919 -1.622966E-01 2.955153E-02 5.863952E-01 -2.390691E-02
|
|
0.816342 -1.856265E-01 3.238044E-02 6.929053E-01 -2.610273E-02
|
|
0.870764 -2.133730E-01 3.538546E-02 8.257573E-01 -2.841688E-02
|
|
0.925187 -2.470937E-01 3.858904E-02 9.951449E-01 -3.086398E-02
|
|
0.979610 -2.891390E-01 4.201647E-02 1.216676E+00 -3.346039E-02
|
|
1.034033 -3.432128E-01 4.569645E-02 1.515250E+00 -3.622459E-02
|
|
1.088455 -4.154607E-01 4.966163E-02 1.932604E+00 -3.917750E-02
|
|
1.142878 -5.167455E-01 5.394936E-02 2.543114E+00 -4.234296E-02
|
|
1.197301 -6.678546E-01 5.860260E-02 3.489983E+00 -4.574821E-02
|
|
1.251724 -9.129020E-01 6.367095E-02 5.078450E+00 -4.942463E-02
|
|
1.306146 -1.359708E+00 6.921197E-02 8.056710E+00 -5.340843E-02
|
|
1.360569 -2.332159E+00 7.529283E-02 1.467607E+01 -5.774171E-02
|
|
1.414992 -5.186590E+00 8.199229E-02 3.437188E+01 -6.247364E-02
|
|
1.469415 -2.021474E+01 8.940323E-02 1.387589E+02 -6.766196E-02
|
|
1.523837 -5.371816E+01 9.763583E-02 3.716836E+02 -7.337491E-02
|
|
1.578260 -9.564987E+00 1.068216E-01 6.417255E+01 -7.969366E-02
|
|
1.632683 -3.547168E+00 1.171184E-01 2.199630E+01 -8.671535E-02
|
|
1.687106 -2.016763E+00 1.287174E-01 1.099310E+01 -9.455710E-02
|
|
1.741529 -1.461902E+00 1.418514E-01 6.709884E+00 -1.033612E-01
|
|
1.795951 -1.243102E+00 1.568065E-01 4.676553E+00 -1.133020E-01
|
|
1.850374 -1.182769E+00 1.739373E-01 3.628645E+00 -1.245948E-01
|
|
1.904797 -1.223471E+00 1.936873E-01 3.123530E+00 -1.375085E-01
|
|
1.959220 -1.354750E+00 2.166175E-01 3.019159E+00 -1.523819E-01
|
|
2.013642 -1.601797E+00 2.434448E-01 3.365842E+00 -1.696474E-01
|
|
2.068065 -2.056327E+00 2.750977E-01 4.530299E+00 -1.898634E-01
|
|
2.122488 -3.050085E+00 3.127950E-01 8.011523E+00 -2.137617E-01
|
|
2.176911 -6.472441E+00 3.581617E-01 2.275355E+01 -2.423160E-01
|
|
2.231333 -2.827628E+01 4.134024E-01 1.252439E+02 -2.768451E-01
|
|
2.285756 -9.922180E+00 4.815673E-01 3.359619E+01 -3.191710E-01
|
|
2.340179 -6.040498E+00 5.669722E-01 9.802464E+00 -3.718683E-01
|
|
2.394602 -6.778006E+00 6.758834E-01 5.050171E+00 -4.386704E-01
|
|
2.449025 -9.547464E+00 8.176758E-01 3.657500E+00 -5.251580E-01
|
|
2.503447 -1.572304E+01 1.006881E+00 3.576357E+00 -6.399736E-01
|
|
2.557870 -3.152804E+01 1.266995E+00 4.970257E+00 -7.970822E-01
|
|
2.612293 -9.052474E+01 1.638017E+00 1.150109E+01 -1.020245E+00
|
|
2.666716 -5.190258E+02 2.192552E+00 6.046237E+01 -1.352575E+00
|
|
2.721138 -2.311294E+02 3.073651E+00 2.763893E+01 -1.878991E+00
|
|
2.775561 -5.758765E+01 4.595605E+00 8.638681E+00 -2.786029E+00
|
|
2.829984 -4.488700E+01 7.562241E+00 1.363001E+01 -4.550715E+00
|
|
2.884407 -1.611643E+01 1.455487E+01 4.799942E+00 -8.704811E+00
|
|
2.938829 -4.284289E+00 3.768123E+01 2.037414E+00 -2.243292E+01
|
|
2.993252 4.913520E+00 1.860703E+02 1.277847E+00 -1.104905E+02
|
|
3.047675 2.965101E+01 1.997860E+02 9.267104E-01 -1.186357E+02
|
|
3.102098 1.937102E+02 3.930559E+01 7.123952E-01 -2.341668E+01
|
|
3.156521 5.467200E+01 1.492253E+01 5.938793E-01 -8.956501E+00
|
|
3.210943 1.289154E+01 7.661200E+00 5.065305E-01 -4.657192E+00
|
|
3.265366 4.724437E+00 4.596920E+00 4.397083E-01 -2.849655E+00
|
|
3.319789 1.943791E+00 3.023209E+00 3.852224E-01 -1.928166E+00
|
|
3.374212 5.523087E-01 2.105493E+00 3.306312E-01 -1.397822E+00
|
|
3.428634 -7.012556E-01 1.519204E+00 2.376609E-01 -1.066435E+00
|
|
3.483057 -3.895954E+00 1.116846E+00 -1.477754E-01 -8.470025E-01
|
|
3.537480 -2.342371E+01 8.232800E-01 -3.021888E+00 -6.956141E-01
|
|
3.591903 -6.418647E+00 5.965597E-01 4.121928E+00 -5.882684E-01
|
|
3.646325 -1.859697E+00 4.112510E-01 1.595179E+00 -5.110637E-01
|
|
3.700748 -8.879918E-01 2.505340E-01 6.068040E-01 -4.556424E-01
|
|
3.755171 -6.282937E-01 1.020500E-01 4.710525E-01 -4.169284E-01
|
|
3.809594 -5.875039E-01 -4.459476E-02 4.830717E-01 -3.919687E-01
|
|
3.864017 -6.845637E-01 -1.996776E-01 5.761618E-01 -3.793667E-01
|
|
3.918439 -9.519585E-01 -3.751971E-01 7.833513E-01 -3.790985E-01
|
|
3.972862 -1.543773E+00 -5.873422E-01 1.246530E+00 -3.926718E-01
|
|
4.027285 -2.969438E+00 -8.606204E-01 2.507206E+00 -4.237427E-01
|
|
4.081708 -7.676012E+00 -1.235814E+00 7.782225E+00 -4.795795E-01
|
|
4.136130 -3.386510E+01 -1.787103E+00 4.450183E+01 -5.744183E-01
|
|
4.190553 -3.189670E+01 -2.663331E+00 1.100534E+01 -7.377103E-01
|
|
4.244976 -1.563437E+02 -4.202194E+00 3.273425E-01 -1.037070E+00
|
|
4.299399 -8.684585E+01 -7.311532E+00 -7.972671E+00 -1.655013E+00
|
|
4.353821 -6.001001E+00 -1.515053E+01 -8.432491E-01 -3.227412E+00
|
|
4.408244 2.355155E+01 -4.484100E+01 -1.707017E-01 -9.201283E+00
|
|
4.462667 9.906358E+01 -2.611552E+02 -6.720630E-01 -5.274973E+01
|
|
4.517090 5.749968E+02 -1.014211E+02 -4.878752E+00 -2.059193E+01
|
|
4.571512 1.343850E+02 -2.458886E+01 -8.867197E-01 -5.127141E+00
|
|
4.625935 3.520692E+01 -1.022676E+01 6.982808E-02 -2.242329E+00
|
|
4.680358 1.372525E+01 -5.411862E+00 3.940752E-01 -1.283380E+00
|
|
4.734781 4.807994E+00 -3.233045E+00 7.710377E-01 -8.599478E-01
|
|
4.789204 -3.202290E+00 -2.047357E+00 1.704222E+00 -6.428667E-01
|
|
4.843626 -2.787507E+01 -1.306415E+00 6.149177E+00 -5.242537E-01
|
|
4.898049 -1.096639E+02 -7.805512E-01 2.226981E+01 -4.619679E-01
|
|
4.952472 -1.892385E+01 -3.515364E-01 4.098310E+00 -4.391814E-01
|
|
5.006895 -8.253503E+00 6.098326E-02 1.712813E+00 -4.523324E-01
|
|
5.061317 -1.550645E+01 5.394247E-01 2.077486E+00 -5.095332E-01
|
|
5.115740 -4.311764E+01 1.215850E+00 7.061980E+00 -6.379977E-01
|
|
5.170163 -7.697693E+00 2.390111E+00 2.054559E+00 -9.132545E-01
|
|
5.224586 -2.809979E+00 4.979906E+00 1.013456E+00 -1.578828E+00
|
|
5.279008 -1.267885E+00 1.312757E+01 4.156393E-01 -3.746124E+00
|
|
5.333431 -7.070514E-01 6.258304E+01 2.481895E-01 -1.702125E+01
|
|
5.387854 -4.430530E-01 8.684082E+01 1.583251E-01 -2.353420E+01
|
|
5.442277 -3.127916E-01 1.617529E+01 7.334564E-02 -4.552827E+00
|
|
5.496700 -2.973181E-01 5.927719E+00 -1.220069E-01 -1.832810E+00
|
|
5.551122 -7.668207E-01 3.030285E+00 -1.350750E+00 -1.159974E+00
|
|
5.605545 -2.992236E-01 1.995676E+00 -3.680128E-01 -1.304104E+00
|
|
5.659968 -1.273065E-01 2.657030E+00 -3.491413E-02 -4.600090E+00
|
|
5.714391 -8.390848E-02 1.494583E+00 2.365646E-02 -2.252770E+00
|
|
5.768813 -6.602822E-02 7.383615E-01 3.940954E-02 -6.914321E-01
|
|
5.823236 -5.885655E-02 5.051753E-01 4.365119E-02 -3.796077E-01
|
|
5.877659 -5.903580E-02 3.836082E-01 4.375850E-02 -2.609348E-01
|
|
5.932082 -6.675311E-02 3.112158E-01 4.198286E-02 -1.991855E-01
|
|
5.986504 -8.533110E-02 2.714386E-01 3.892469E-02 -1.611741E-01
|
|
6.040927 -1.245371E-01 2.654008E-01 3.417188E-02 -1.352761E-01
|
|
6.095350 -2.144099E-01 3.237158E-01 2.531749E-02 -1.163427E-01
|
|
6.149773 -4.764967E-01 6.291700E-01 -7.620811E-04 -1.013950E-01
|
|
6.204196 -1.753029E+00 2.988168E+00 -1.791177E-01 -8.503018E-02
|
|
6.258618 -7.415983E+00 1.538163E+00 3.176650E-01 -7.917278E-02
|
|
6.313041 1.259910E+00 4.009553E-01 -1.236614E+00 -7.423986E-02
|
|
6.367464 -8.682050E-02 1.901683E-01 -1.445403E-01 -6.849828E-02
|
|
6.421887 -4.095069E-01 1.141822E-01 9.791040E-02 -6.339781E-02
|
|
6.476309 -1.581182E+00 7.448472E-02 6.656468E-01 -5.894258E-02
|
|
6.530732 -3.959244E+00 4.787931E-02 8.469298E-01 -5.501220E-02
|
|
6.585155 -1.141133E+00 2.616391E-02 2.781746E-01 -5.146939E-02
|
|
6.639578 -4.075749E-01 5.112474E-03 1.872651E-01 -4.815615E-02
|
|
6.694000 -6.399299E-01 -1.873043E-02 6.485665E-01 -4.485592E-02
|
|
6.748423 -3.793609E-01 -4.984830E-02 2.321431E-01 -4.120354E-02
|
|
6.802846 -9.136944E-01 -9.626176E-02 2.598840E-02 -3.645687E-02
|
|
6.857269 -1.158786E+00 -1.757459E-01 1.236392E-01 -2.882461E-02
|
|
6.911691 -1.163698E+00 -3.365567E-01 2.238967E-01 -1.306889E-02
|
|
6.966114 4.314416E-02 -7.509775E-01 3.474636E-02 3.082021E-02
|
|
7.020537 5.901049E-01 -2.393053E+00 -2.802854E-02 2.225457E-01
|
|
7.074960 2.250787E+00 -1.436755E+01 -1.897267E-01 1.715037E+00
|
|
7.129383 1.256445E+01 -4.296174E+00 -1.174306E+00 2.473421E-01
|
|
7.183805 2.829852E+00 8.009921E-01 -2.472940E-01 -1.604632E+00
|
|
7.238228 7.994127E-01 8.085976E-01 -5.387153E-02 -1.104160E+00
|
|
7.292651 3.769794E-01 2.802161E-02 -1.284337E-02 -2.494190E-01
|
|
7.347074 2.460164E-01 -3.512889E-02 1.967629E-03 -1.162372E-01
|
|
7.401496 2.247380E-01 -3.100506E-02 1.008050E-02 -7.839501E-02
|
|
7.455919 3.262919E-01 -1.897400E-02 1.899394E-02 -6.449242E-02
|
|
7.510342 9.778081E-01 -7.208178E-03 4.711447E-02 -5.939109E-02
|
|
7.564765 3.473855E+00 3.453879E-03 2.146629E-01 -5.862000E-02
|
|
7.619187 6.586816E-01 1.348392E-02 4.320745E-02 -6.068471E-02
|
|
7.673610 3.275752E-01 2.361872E-02 1.533666E-02 -6.521378E-02
|
|
7.728033 7.445269E-01 3.473058E-02 2.312392E-03 -7.244646E-02
|
|
7.782456 2.980308E-01 4.793686E-02 -8.821403E-02 -8.316002E-02
|
|
7.836879 1.670831E-01 6.486220E-02 -9.667816E-02 -9.885517E-02
|
|
7.891301 3.905100E-02 8.815859E-02 -1.020901E-02 -1.222735E-01
|
|
7.945724 -2.912316E-02 1.226231E-01 3.250499E-03 -1.586026E-01
|
|
8.000147 -2.036385E-01 1.778916E-01 1.549820E-02 -2.184417E-01
|
|
8.054570 -1.329537E+00 2.759076E-01 1.056155E-01 -3.260669E-01
|
|
8.108992 -6.170779E-01 4.759326E-01 -4.858922E-02 -5.471321E-01
|