Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983380000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.000000009161340e-06 | PASS |
| Susceptibility YY | -1.130983380000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.000000009161340e-06 | PASS |
| Susceptibility ZZ | -1.130983380000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.000000009161340e-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) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
| Im eps YY (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
| Im eps ZZ (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
| Im eps av (LRC, w/o G=0) | 1.489900000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -1.734723475976807e-18 | PASS |
| Re epsilon at k-point | 1.682393600000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | -6.999999999091067e-08 | PASS |
| Re epsilon at k-point | 3.214340500000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | -1.499999999765578e-07 | PASS |
| Re epsilon at k-point | -4.161966600000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | -4.161966600000000e-08 | PASS |
| Im epsilon at k-point | 2.613160000000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | -1.790000000003247e-07 | PASS |
| Im epsilon at k-point | 2.613088700000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.212999999998439e-07 | PASS |
| Im epsilon at k-point | 6.180126100000000e-10 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.495358439000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348497500000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.800000000162782e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497500000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.800000000162782e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497500000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.800000000162782e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497500000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.800000000162782e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.600000000296809e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.600000000296809e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.600000000296809e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302600000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.600000000296809e-07 | PASS |
| Mag.-opt. Im epsilon | 2.766569300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569300000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.300000000009627e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393534700000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.899999999997390e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393534700000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.899999999997390e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393534700000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.899999999997390e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393534700000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.899999999997390e-09 | PASS |
| Mag.-opt. Re eps at kpt | -1.202044700000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 4.800000000118945e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645927000000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | 1.400000000477408e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802629900000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 2.499999999551472e-09 | PASS |