Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-06 | PASS |
| Susceptibility YY | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-06 | PASS |
| Susceptibility ZZ | -1.130983370000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 3.000000006636583e-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 | 1.682394000000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | -2.999999998420932e-08 | PASS |
| Re epsilon at k-point | 3.214341000000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | -1.000000000028756e-07 | PASS |
| Re epsilon at k-point | 8.410988500000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | 8.410988500000000e-08 | PASS |
| Im epsilon at k-point | 2.613090300000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | -2.487000000002404e-07 | PASS |
| Im epsilon at k-point | 2.613089300000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.207000000000730e-07 | PASS |
| Im epsilon at k-point | 9.212686600000000e-10 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.465032834000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348497400000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.900000000110147e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497400000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.900000000110147e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497400000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.900000000110147e-07 | PASS |
| Mag.-opt. Re alpha | -1.348497400000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.700000000244174e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.700000000244174e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.700000000244174e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655302700000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 2.700000000244174e-07 | PASS |
| Mag.-opt. Im epsilon | 2.766569400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.400000000043727e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.400000000043727e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.400000000043727e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766569400000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 1.400000000043727e-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 | -1.202044400000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 5.100000000221247e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645927400000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | 1.800000000180130e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802630400000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 2.999999999288294e-09 | PASS |