Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983330000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 7.000000010748408e-06 | PASS |
| Susceptibility YY | -1.130983330000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 7.000000010748408e-06 | PASS |
| Susceptibility ZZ | -1.130983330000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 7.000000010748408e-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 | 1.682394500000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 2.000000001722846e-08 | PASS |
| Re epsilon at k-point | 3.214343200000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 1.199999999923484e-07 | PASS |
| Re epsilon at k-point | 1.069901900000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | 1.069901900000000e-08 | PASS |
| Im epsilon at k-point | 2.613501500000000e-03 | 2.613430500000000e-03 | 3.780000000000000e-07 | 7.099999999992529e-08 | PASS |
| Im epsilon at k-point | 2.613413100000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 3.099999999756076e-09 | PASS |
| Im epsilon at k-point | -1.492008400000000e-08 | 1.557159700000000e-08 | 1.100000000000000e-07 | -3.049168100000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348501000000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | 2.100000000004876e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501000000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | 2.100000000004876e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501000000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | 2.100000000004876e-07 | PASS |
| Mag.-opt. Re alpha | -1.348501000000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | 2.100000000004876e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655299200000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -8.000000001340268e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655299200000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -8.000000001340268e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655299200000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -8.000000001340268e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655299200000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -8.000000001340268e-08 | PASS |
| Mag.-opt. Im epsilon | 2.766565600000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -9.999999999073250e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766565600000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -9.999999999073250e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766565600000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -9.999999999073250e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766565600000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -9.999999999073250e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393538400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | 2.100000000065591e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | 2.100000000065591e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | 2.100000000065591e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | 2.100000000065591e-09 | PASS |
| Mag.-opt. Re eps at kpt | -1.202044800000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 4.700000000084845e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645923400000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | -2.199999999882851e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802628400000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 9.999999994736442e-10 | PASS |