Input 27-Ar.03-em_resp_mo.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2022a_serial_min

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-06 2.000000009161340e-06 PASS
Susceptibility YY -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-06 2.000000009161340e-06 PASS
Susceptibility ZZ -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-06 2.000000009161340e-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 1.682392500000000e-01 1.682394300000000e-01 2.500000000000000e-07 -1.799999999885227e-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 1.521814000000000e-09 0.000000000000000e+00 1.690000000000000e-07 1.521814000000000e-09 PASS
Im epsilon at k-point 2.613632400000000e-03 2.613383900000000e-03 3.840000000000000e-07 2.485000000001722e-07 PASS
Im epsilon at k-point 2.613424100000000e-03 2.613410000000000e-03 4.330000000000000e-07 1.410000000003769e-08 PASS
Im epsilon at k-point 1.022145300000000e-08 1.557159700000000e-08 1.100000000000000e-07 -5.350144000000000e-09 PASS
Mag.-opt. Re alpha -1.348502500000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.000000001722846e-08 PASS
Mag.-opt. Re alpha -1.348502500000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.000000001722846e-08 PASS
Mag.-opt. Re alpha -1.348502500000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.000000001722846e-08 PASS
Mag.-opt. Re alpha -1.348502500000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.000000001722846e-08 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) -1.393540000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.500000000852515e-10 PASS
MO Re eps (w/o G=0) -1.393540000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.500000000852515e-10 PASS
MO Re eps (w/o G=0) -1.393540000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.500000000852515e-10 PASS
MO Re eps (w/o G=0) -1.393540000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.500000000852515e-10 PASS
Mag.-opt. Re eps at kpt -1.202051700000000e-03 -1.202049500000000e-03 7.810000000000000e-09 -2.199999999882851e-09 PASS
Mag.-opt. Im eps at kpt 2.645922100000000e-03 2.645921800000000e-03 5.940000000000000e-09 2.999999996686209e-10 PASS
Mag.-opt. Im eps at kpt 4.802625400000000e-03 4.802627400000000e-03 4.700000000000000e-09 -2.000000000682012e-09 PASS
Compare to other inputs