Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-min-parallel: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983440000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-06 | -7.000000010748408e-06 | PASS |
| Susceptibility YY | -1.130983440000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-06 | -7.000000010748408e-06 | PASS |
| Susceptibility ZZ | -1.130983440000000e+02 | -1.130983370000000e+02 | 9.900000000000000e-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 | 1.682395400000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 1.099999999976120e-07 | PASS |
| Re epsilon at k-point | 3.214343100000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 1.099999999976120e-07 | PASS |
| Re epsilon at k-point | -3.139286600000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | -3.139286600000000e-08 | PASS |
| Im epsilon at k-point | 2.613786700000000e-03 | 2.613339000000000e-03 | 4.740000000000000e-07 | 4.477000000000127e-07 | PASS |
| Im epsilon at k-point | 2.613718300000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 3.082999999997477e-07 | PASS |
| Im epsilon at k-point | -5.144155900000000e-08 | 1.557159700000000e-08 | 1.100000000000000e-07 | -6.701315600000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348513800000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.499999999909356e-07 | FAIL |
| Mag.-opt. Re alpha | -1.348513800000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.499999999909356e-07 | FAIL |
| Mag.-opt. Re alpha | -1.348513800000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.499999999909356e-07 | FAIL |
| Mag.-opt. Re alpha | -1.348513800000000e-01 | -1.348507300000000e-01 | 4.950000000000000e-07 | -6.499999999909356e-07 | FAIL |
| MO Im alpha (w/o G=0) | 2.655298100000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655298100000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655298100000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655298100000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -1.900000000110147e-07 | PASS |
| Mag.-opt. Im epsilon | 2.766564600000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -5.000000001705029e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766564600000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -5.000000001705029e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766564600000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -5.000000001705029e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766564600000000e-03 | 2.766565100000000e-03 | 1.540000000000000e-09 | -5.000000001705029e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393551600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -6.700000000116335e-09 | FAIL |
| MO Re eps (w/o G=0) | -1.393551600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -6.700000000116335e-09 | FAIL |
| MO Re eps (w/o G=0) | -1.393551600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -6.700000000116335e-09 | FAIL |
| MO Re eps (w/o G=0) | -1.393551600000000e-03 | -1.393544900000000e-03 | 5.060000000000000e-09 | -6.700000000116335e-09 | FAIL |
| Mag.-opt. Re eps at kpt | -1.202060000000000e-03 | -1.202057300000000e-03 | 1.000000000000000e-08 | -2.700000000053354e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645922700000000e-03 | 2.645925950000000e-03 | 1.000000000000000e-08 | -3.250000000024067e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802623600000000e-03 | 4.802625300000000e-03 | 1.000000000000000e-08 | -1.700000000146029e-09 | PASS |