Input 27-Ar.03-em_resp_mo.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_ppc_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Susceptibility XX | -1.130983480000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | -7.999999994012796e-06 | PASS |
Susceptibility YY | -1.130983480000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | -7.999999994012796e-06 | PASS |
Susceptibility ZZ | -1.130983480000000e+02 | -1.130983400000000e+02 | 8.250000000000001e-06 | -7.999999994012796e-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 | 1.682396000000000e-01 | 1.682394300000000e-01 | 2.500000000000000e-07 | 1.699999999937862e-07 | PASS |
Re epsilon at k-point | 3.214343800000000e-01 | 3.214342000000000e-01 | 1.610000000000000e-06 | 1.800000000162782e-07 | PASS |
Re epsilon at k-point | -1.863218600000000e-08 | 0.000000000000000e+00 | 1.690000000000000e-07 | -1.863218600000000e-08 | PASS |
Im epsilon at k-point | 2.613686300000000e-03 | 2.613430500000000e-03 | 3.780000000000000e-07 | 2.558000000000595e-07 | PASS |
Im epsilon at k-point | 2.613542400000000e-03 | 2.613410000000000e-03 | 4.330000000000000e-07 | 1.324000000000464e-07 | PASS |
Im epsilon at k-point | 1.257378200000000e-09 | 1.557159700000000e-08 | 1.100000000000000e-07 | -1.431421880000000e-08 | PASS |
Mag.-opt. Re alpha | -1.348504900000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | -1.799999999885227e-07 | PASS |
Mag.-opt. Re alpha | -1.348504900000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | -1.799999999885227e-07 | PASS |
Mag.-opt. Re alpha | -1.348504900000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | -1.799999999885227e-07 | PASS |
Mag.-opt. Re alpha | -1.348504900000000e-01 | -1.348503100000000e-01 | 6.380000000000000e-07 | -1.799999999885227e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655298600000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -1.399999999818213e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655298600000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -1.399999999818213e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655298600000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -1.399999999818213e-07 | PASS |
MO Im alpha (w/o G=0) | 2.655298600000000e-01 | 2.655300000000000e-01 | 2.700000000000000e-07 | -1.399999999818213e-07 | PASS |
Mag.-opt. Im epsilon | 2.766565000000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -1.600000000111929e-09 | PASS |
Mag.-opt. Im epsilon | 2.766565000000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -1.600000000111929e-09 | PASS |
Mag.-opt. Im epsilon | 2.766565000000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -1.600000000111929e-09 | PASS |
Mag.-opt. Im epsilon | 2.766565000000000e-03 | 2.766566600000000e-03 | 2.810000000000000e-09 | -1.600000000111929e-09 | PASS |
MO Re eps (w/o G=0) | -1.393542400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | -1.899999999780549e-09 | PASS |
MO Re eps (w/o G=0) | -1.393542400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | -1.899999999780549e-09 | PASS |
MO Re eps (w/o G=0) | -1.393542400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | -1.899999999780549e-09 | PASS |
MO Re eps (w/o G=0) | -1.393542400000000e-03 | -1.393540500000000e-03 | 6.600000000000000e-09 | -1.899999999780549e-09 | PASS |
Mag.-opt. Re eps at kpt | -1.202051100000000e-03 | -1.202049500000000e-03 | 7.810000000000000e-09 | -1.599999999895088e-09 | PASS |
Mag.-opt. Im eps at kpt | 2.645923200000000e-03 | 2.645925600000000e-03 | 3.580000000000000e-09 | -2.399999999517372e-09 | PASS |
Mag.-opt. Im eps at kpt | 4.802626100000000e-03 | 4.802627400000000e-03 | 4.700000000000000e-09 | -1.300000000009627e-09 | PASS |