Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Susceptibility XX | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-06 | PASS |
Susceptibility YY | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-06 | PASS |
Susceptibility ZZ | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-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) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
Im eps YY (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
Im eps ZZ (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
Im eps av (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
Re epsilon at k-point | 1.682394200000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | -9.999999994736442e-09 | PASS |
Re epsilon at k-point | 3.214341300000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | -7.000000001866624e-08 | PASS |
Re epsilon at k-point | -1.972154800000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | -1.972154800000000e-08 | PASS |
Im epsilon at k-point | 2.613123800000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | -2.152000000000924e-07 | PASS |
Im epsilon at k-point | 2.613085700000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.242999999999996e-07 | PASS |
Im epsilon at k-point | 8.939802000000000e-10 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.467761680000000e-08 | PASS |
Mag.-opt. Re alpha | -1.348497700000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.599999999990498e-07 | PASS |
Mag.-opt. Re alpha | -1.348497700000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.599999999990498e-07 | PASS |
Mag.-opt. Re alpha | -1.348497700000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.599999999990498e-07 | PASS |
Mag.-opt. Re alpha | -1.348497700000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.599999999990498e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655303700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 3.700000000272929e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655303700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 3.700000000272929e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655303700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 3.700000000272929e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655303700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 3.700000000272929e-07 | PASS |
Mag.-opt. Im epsilon | 2.766570300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 2.299999999916952e-09 | FAIL |
Mag.-opt. Im epsilon | 2.766570300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 2.299999999916952e-09 | FAIL |
Mag.-opt. Im epsilon | 2.766570300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 2.299999999916952e-09 | FAIL |
Mag.-opt. Im epsilon | 2.766570300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 2.299999999916952e-09 | FAIL |
MO Re eps (w/o G=0) | -1.393535000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.599999999895088e-09 | PASS |
MO Re eps (w/o G=0) | -1.393535000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.599999999895088e-09 | PASS |
MO Re eps (w/o G=0) | -1.393535000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.599999999895088e-09 | PASS |
MO Re eps (w/o G=0) | -1.393535000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.599999999895088e-09 | PASS |
Mag.-opt. Re eps at kpt | -1.202044600000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 4.900000000153046e-09 | PASS |
Mag.-opt. Im eps at kpt | 2.645928100000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | 2.500000000418834e-09 | PASS |
Mag.-opt. Im eps at kpt | 4.802631400000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 3.999999999629300e-09 | PASS |