Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial-debug: [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 |