Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run intel-serial: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983390000000e+02 -1.130983400000000e+02 8.250000000000001e-06 1.000000011686097e-06 PASS
Susceptibility YY -1.130983390000000e+02 -1.130983400000000e+02 8.250000000000001e-06 1.000000011686097e-06 PASS
Susceptibility ZZ -1.130983390000000e+02 -1.130983400000000e+02 8.250000000000001e-06 1.000000011686097e-06 PASS
Re epsilon XX (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re epsilon YY (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re epsilon ZZ (LRC) 1.246991000000000e+00 1.246991000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Im epsilon XX (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon YY (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon ZZ (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Im epsilon av (LRC) 1.501700000000000e-02 1.501700000000000e-02 7.510000000000000e-06 0.000000000000000e+00 PASS
Re eps XX (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re eps YY (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Re eps ZZ (LRC, w/o G=0) 1.246027000000000e+00 1.246027000000000e+00 6.230000000000000e-06 0.000000000000000e+00 PASS
Im eps XX (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps YY (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps ZZ (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps av (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Re epsilon at k-point 1.682395700000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.400000000095769e-07 PASS
Re epsilon at k-point 3.214343400000000e-01 3.214342000000000e-01 1.610000000000000e-06 1.399999999818213e-07 PASS
Re epsilon at k-point -7.218484600000000e-08 0.000000000000000e+00 1.690000000000000e-07 -7.218484600000000e-08 PASS
Im epsilon at k-point 2.613572300000000e-03 2.613339000000000e-03 3.530000000000000e-07 2.332999999997594e-07 PASS
Im epsilon at k-point 2.613090000000000e-03 2.613410000000000e-03 4.330000000000000e-07 -3.199999999998343e-07 PASS
Im epsilon at k-point 2.832769600000000e-10 1.557159700000000e-08 1.100000000000000e-07 -1.528832004000000e-08 PASS
Mag.-opt. Re alpha -1.348500300000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -1.000000000028756e-07 PASS
Mag.-opt. Re alpha -1.348500300000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -1.000000000028756e-07 PASS
Mag.-opt. Re alpha -1.348500300000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -1.000000000028756e-07 PASS
Mag.-opt. Re alpha -1.348500300000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -1.000000000028756e-07 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.999999998420932e-08 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.199999999975526e-09 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.199999999975526e-09 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.199999999975526e-09 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.199999999975526e-09 PASS
MO Re eps (w/o G=0) -1.393537700000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -1.100000000158266e-09 PASS
MO Re eps (w/o G=0) -1.393537700000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -1.100000000158266e-09 PASS
MO Re eps (w/o G=0) -1.393537700000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -1.100000000158266e-09 PASS
MO Re eps (w/o G=0) -1.393537700000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -1.100000000158266e-09 PASS
Mag.-opt. Re eps at kpt -1.202043000000000e-03 -1.202049500000000e-03 7.810000000000000e-09 6.500000000048134e-09 PASS
Mag.-opt. Im eps at kpt 2.645925000000000e-03 2.645925600000000e-03 3.580000000000000e-09 -5.999999997709227e-10 PASS
Mag.-opt. Im eps at kpt 4.802628500000000e-03 4.802627400000000e-03 4.700000000000000e-09 1.099999999941426e-09 PASS
Compare to other inputs