Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983350000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 5.000000001587068e-06 | PASS |
| Susceptibility YY | -1.130983350000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 5.000000001587068e-06 | PASS |
| Susceptibility ZZ | -1.130983350000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 5.000000001587068e-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 | 1.682395500000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 1.199999999923484e-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 | 5.535788400000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | 5.535788400000000e-08 | PASS |
| Im epsilon at k-point | 2.613580600000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | 2.415999999999877e-07 | PASS |
| Im epsilon at k-point | 2.613087800000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.222000000001508e-07 | PASS |
| Im epsilon at k-point | 1.912313800000000e-10 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.538036562000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348501600000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -2.299999999899605e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501600000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -2.299999999899605e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501600000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -2.299999999899605e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501600000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -2.299999999899605e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655300400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 4.000000003445692e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 4.000000003445692e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 4.000000003445692e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 4.000000003445692e-08 | PASS |
| Mag.-opt. Im epsilon | 2.766566900000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.099999999941426e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566900000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.099999999941426e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566900000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.099999999941426e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566900000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.099999999941426e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393539000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -2.400000000167893e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393539000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -2.400000000167893e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393539000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -2.400000000167893e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393539000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -2.400000000167893e-09 | PASS |
| Mag.-opt. Re eps at kpt | -1.202048800000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 7.000000000218637e-10 | PASS |
| Mag.-opt. Im eps at kpt | 2.645925100000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | -4.999999997368221e-10 | PASS |
| Mag.-opt. Im eps at kpt | 4.802629100000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 1.699999999278667e-09 | PASS |