Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983360000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 4.000000004111826e-06 | PASS |
| Susceptibility YY | -1.130983360000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 4.000000004111826e-06 | PASS |
| Susceptibility ZZ | -1.130983360000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 4.000000004111826e-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 | 1.682394300000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 0.000000000000000e+00 | PASS |
| Re epsilon at k-point | 3.214341600000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | -3.999999997894577e-08 | PASS |
| Re epsilon at k-point | -9.571154600000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | -9.571154600000000e-08 | PASS |
| Im epsilon at k-point | 2.613216800000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | -1.222000000000376e-07 | PASS |
| Im epsilon at k-point | 2.613088900000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.211000000002094e-07 | PASS |
| Im epsilon at k-point | -8.342115400000000e-11 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.565501815400000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348498100000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.200000000201040e-07 | PASS |
| Mag.-opt. Re alpha | -1.348498100000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.200000000201040e-07 | PASS |
| Mag.-opt. Re alpha | -1.348498100000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.200000000201040e-07 | PASS |
| Mag.-opt. Re alpha | -1.348498100000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | 1.200000000201040e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655301900000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655301900000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655301900000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.900000000110147e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655301900000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.900000000110147e-07 | PASS |
| Mag.-opt. Im epsilon | 2.766568500000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 4.999999997368221e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766568500000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 4.999999997368221e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766568500000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 4.999999997368221e-10 | PASS |
| Mag.-opt. Im epsilon | 2.766568500000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | 4.999999997368221e-10 | PASS |
| MO Re eps (w/o G=0) | -1.393535400000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.199999999975526e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393535400000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.199999999975526e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393535400000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.199999999975526e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393535400000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | 1.199999999975526e-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 | 2.645926600000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | 1.000000000341006e-09 | PASS |
| Mag.-opt. Im eps at kpt | 4.802629800000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 2.399999999951052e-09 | PASS |