Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -8.452477200000000e+01 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.857356800000001e+01 | FAIL |
| Susceptibility YY | -8.452477200000000e+01 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.857356800000001e+01 | FAIL |
| Susceptibility ZZ | -8.452477200000000e+01 | -1.130983400000000e+02 | 8.250000000000001e-06 | 2.857356800000001e+01 | FAIL |
| Re epsilon XX (LRC) | 1.246499000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.919999999999369e-04 | FAIL |
| Re epsilon YY (LRC) | 1.246499000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.919999999999369e-04 | FAIL |
| Re epsilon ZZ (LRC) | 1.246499000000000e+00 | 1.246991000000000e+00 | 6.230000000000000e-06 | -4.919999999999369e-04 | FAIL |
| Im epsilon XX (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon YY (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon ZZ (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Im epsilon av (LRC) | 1.480700000000000e-02 | 1.501700000000000e-02 | 7.510000000000000e-06 | -2.100000000000001e-04 | FAIL |
| Re eps XX (LRC, w/o G=0) | 1.245539000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.880000000000440e-04 | FAIL |
| Re eps YY (LRC, w/o G=0) | 1.245539000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.880000000000440e-04 | FAIL |
| Re eps ZZ (LRC, w/o G=0) | 1.245539000000000e+00 | 1.246027000000000e+00 | 6.230000000000000e-06 | -4.880000000000440e-04 | FAIL |
| Im eps XX (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps YY (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps ZZ (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Im eps av (LRC, w/o G=0) | 1.469200000000000e-02 | 1.489900000000000e-02 | 7.450000000000000e-06 | -2.070000000000023e-04 | FAIL |
| Re epsilon at k-point | 1.682398600000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 4.299999999957116e-07 | FAIL |
| Re epsilon at k-point | 3.214342800000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 8.000000001340268e-08 | PASS |
| Re epsilon at k-point | 2.533325100000000e-06 | 0.000000000000000e+00 | 1.690000000000000e-07 | 2.533325100000000e-06 | FAIL |
| Im epsilon at k-point | 2.613737000000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | 3.979999999999782e-07 | FAIL |
| Im epsilon at k-point | 2.613718200000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 3.082000000001472e-07 | PASS |
| Im epsilon at k-point | 3.035282200000000e-05 | 1.557159700000000e-08 | 1.100000000000000e-07 | 3.033725040300000e-05 | FAIL |
| Mag.-opt. Re alpha | -1.447664900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -9.916559999999991e-03 | FAIL |
| Mag.-opt. Re alpha | -1.447664900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -9.916559999999991e-03 | FAIL |
| Mag.-opt. Re alpha | -1.447664900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -9.916559999999991e-03 | FAIL |
| Mag.-opt. Re alpha | -1.447664900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -9.916559999999991e-03 | FAIL |
| MO Im alpha (w/o G=0) | 2.607124400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.817559999999999e-03 | FAIL |
| MO Im alpha (w/o G=0) | 2.607124400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.817559999999999e-03 | FAIL |
| MO Im alpha (w/o G=0) | 2.607124400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.817559999999999e-03 | FAIL |
| MO Im alpha (w/o G=0) | 2.607124400000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | -4.817559999999999e-03 | FAIL |
| Mag.-opt. Im epsilon | 2.716325400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -5.024260000000003e-05 | FAIL |
| Mag.-opt. Im epsilon | 2.716325400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -5.024260000000003e-05 | FAIL |
| Mag.-opt. Im epsilon | 2.716325400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -5.024260000000003e-05 | FAIL |
| Mag.-opt. Im epsilon | 2.716325400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -5.024260000000003e-05 | FAIL |
| MO Re eps (w/o G=0) | -1.496095000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.025584000000001e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.496095000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.025584000000001e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.496095000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.025584000000001e-04 | FAIL |
| MO Re eps (w/o G=0) | -1.496095000000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.025584000000001e-04 | FAIL |
| Mag.-opt. Re eps at kpt | -1.324820400000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | -1.227708999999998e-04 | FAIL |
| Mag.-opt. Im eps at kpt | 2.692885700000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | 4.696010000000044e-05 | FAIL |
| Mag.-opt. Im eps at kpt | 5.069554700000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 2.669272999999998e-04 | FAIL |