Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-min-parallel: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Susceptibility XX | -1.130983390000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 1.000000011686097e-06 | PASS |
| Susceptibility YY | -1.130983390000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 1.000000011686097e-06 | PASS |
| Susceptibility ZZ | -1.130983390000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | 1.000000011686097e-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 | 1.682395700000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 1.400000000095769e-07 | PASS |
| Re epsilon at k-point | 3.214343200000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 1.199999999923484e-07 | PASS |
| Re epsilon at k-point | -9.076973800000001e-09 | 0.000000000000000e+00 | 1.690000000000000e-07 | -9.076973800000001e-09 | PASS |
| Im epsilon at k-point | 2.613581000000000e-03 | 2.613339000000000e-03 | 3.530000000000000e-07 | 2.419999999996904e-07 | PASS |
| Im epsilon at k-point | 2.613089000000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | -3.210000000001753e-07 | PASS |
| Im epsilon at k-point | 2.035213700000000e-10 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.536807563000000e-08 | PASS |
| Mag.-opt. Re alpha | -1.348500900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -1.599999999990498e-07 | PASS |
| Mag.-opt. Re alpha | -1.348500900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -1.599999999990498e-07 | PASS |
| Mag.-opt. Re alpha | -1.348500900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -1.599999999990498e-07 | PASS |
| Mag.-opt. Re alpha | -1.348500900000000e-01 | -1.348499300000000e-01 | 2.860000000000000e-07 | -1.599999999990498e-07 | PASS |
| MO Im alpha (w/o G=0) | 2.655300200000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.999999998947288e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300200000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.999999998947288e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300200000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.999999998947288e-08 | PASS |
| MO Im alpha (w/o G=0) | 2.655300200000000e-01 | 2.655300000000000e-01 | 1.330000000000000e-04 | 1.999999998947288e-08 | PASS |
| Mag.-opt. Im epsilon | 2.766566700000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566700000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566700000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.300000000009627e-09 | PASS |
| Mag.-opt. Im epsilon | 2.766566700000000e-03 | 2.766568000000000e-03 | 1.760000000000000e-09 | -1.300000000009627e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538300000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.700000000146029e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538300000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.700000000146029e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538300000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.700000000146029e-09 | PASS |
| MO Re eps (w/o G=0) | -1.393538300000000e-03 | -1.393536600000000e-03 | 2.970000000000000e-09 | -1.700000000146029e-09 | PASS |
| Mag.-opt. Re eps at kpt | -1.202045100000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | 4.400000000199383e-09 | PASS |
| Mag.-opt. Im eps at kpt | 2.645925100000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | -4.999999997368221e-10 | PASS |
| Mag.-opt. Im eps at kpt | 4.802628500000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | 1.099999999941426e-09 | PASS |