Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983340000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.999999992425728e-06 | PASS |
| Susceptibility YY | -1.130983340000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.999999992425728e-06 | PASS |
| Susceptibility ZZ | -1.130983340000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-06 | 2.999999992425728e-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 | 1.682396000000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 1.699999999937862e-07 | PASS |
| Re epsilon at k-point | 3.214344200000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 2.199999999952240e-07 | PASS |
| Re epsilon at k-point | -5.839371700000000e-09 | 0.000000000000000e+00 | 1.690000000000000e-07 | -5.839371700000000e-09 | PASS |
| Im epsilon at k-point | 2.613702600000000e-03 | 2.613339000000000e-03 | 4.740000000000000e-07 | 3.635999999999570e-07 | PASS |
| Im epsilon at k-point | 2.613712700000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 3.027000000000064e-07 | PASS |
| Im epsilon at k-point | -8.173411700000000e-09 | 1.557159700000000e-08 | 1.100000000000000e-07 | -2.374500870000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348508000000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.999999999091067e-08 | PASS |
| Mag.-opt. Re alpha | -1.348508000000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.999999999091067e-08 | PASS |
| Mag.-opt. Re alpha | -1.348508000000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.999999999091067e-08 | PASS |
| Mag.-opt. Re alpha | -1.348508000000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.999999999091067e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655297600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -2.399999999846969e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655297600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -2.399999999846969e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655297600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -2.399999999846969e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655297600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -2.399999999846969e-07 | PASS |
| Mag.-opt. Im epsilon | 2.766564000000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -1.100000000375106e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766564000000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -1.100000000375106e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766564000000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -1.100000000375106e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766564000000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -1.100000000375106e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393545600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -7.000000000218637e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393545600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -7.000000000218637e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393545600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -7.000000000218637e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393545600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -7.000000000218637e-10 | PASS |
| Mag.-opt. Re eps at kpt | -1.202053900000000e-03 | -1.202057300000000e-03 | 1.000000000000000e-08 | 3.400000000075218e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645922900000000e-03 | 2.645925950000000e-03 | 1.000000000000000e-08 | -3.049999999955866e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802622600000000e-03 | 4.802625300000000e-03 | 1.000000000000000e-08 | -2.700000000487035e-09 | PASS |