Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2022a_cuda_serial

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 1.682394900000000e-01 1.682394300000000e-01 2.500000000000000e-07 5.999999999617422e-08 PASS
Re epsilon at k-point 3.214339800000000e-01 3.214342000000000e-01 1.610000000000000e-06 -2.199999999952240e-07 PASS
Re epsilon at k-point -3.130649400000000e-08 0.000000000000000e+00 1.690000000000000e-07 -3.130649400000000e-08 PASS
Im epsilon at k-point 2.613139800000000e-03 2.613430500000000e-03 3.780000000000000e-07 -2.907000000002512e-07 PASS
Im epsilon at k-point 2.613189700000000e-03 2.613410000000000e-03 4.330000000000000e-07 -2.203000000000968e-07 PASS
Im epsilon at k-point 7.052889500000000e-09 1.557159700000000e-08 1.100000000000000e-07 -8.518707499999999e-09 PASS
Mag.-opt. Re alpha -1.348499700000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348499700000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348499700000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348499700000000e-01 -1.348503100000000e-01 6.380000000000000e-07 3.399999999875725e-07 PASS
MO Im alpha (w/o G=0) 2.655300600000000e-01 2.655300000000000e-01 2.700000000000000e-07 6.000000002392980e-08 PASS
MO Im alpha (w/o G=0) 2.655300600000000e-01 2.655300000000000e-01 2.700000000000000e-07 6.000000002392980e-08 PASS
MO Im alpha (w/o G=0) 2.655300600000000e-01 2.655300000000000e-01 2.700000000000000e-07 6.000000002392980e-08 PASS
MO Im alpha (w/o G=0) 2.655300600000000e-01 2.655300000000000e-01 2.700000000000000e-07 6.000000002392980e-08 PASS
Mag.-opt. Im epsilon 2.766567100000000e-03 2.766566600000000e-03 2.810000000000000e-09 5.000000001705029e-10 PASS
Mag.-opt. Im epsilon 2.766567100000000e-03 2.766566600000000e-03 2.810000000000000e-09 5.000000001705029e-10 PASS
Mag.-opt. Im epsilon 2.766567100000000e-03 2.766566600000000e-03 2.810000000000000e-09 5.000000001705029e-10 PASS
Mag.-opt. Im epsilon 2.766567100000000e-03 2.766566600000000e-03 2.810000000000000e-09 5.000000001705029e-10 PASS
MO Re eps (w/o G=0) -1.393537100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.400000000075218e-09 PASS
MO Re eps (w/o G=0) -1.393537100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.400000000075218e-09 PASS
MO Re eps (w/o G=0) -1.393537100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.400000000075218e-09 PASS
MO Re eps (w/o G=0) -1.393537100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 3.400000000075218e-09 PASS
Mag.-opt. Re eps at kpt -1.202044600000000e-03 -1.202049500000000e-03 7.810000000000000e-09 4.900000000153046e-09 PASS
Mag.-opt. Im eps at kpt 2.645925700000000e-03 2.645925600000000e-03 3.580000000000000e-09 1.000000004677815e-10 PASS
Mag.-opt. Im eps at kpt 4.802628100000000e-03 4.802627400000000e-03 4.700000000000000e-09 6.999999998050233e-10 PASS
Compare to other inputs