Input 27-Ar.03-em_resp_mo.inp

Commits > Commit f8acf19c290dd45fdc983dc97ea0d33866cdf665 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-06 3.000000006636583e-06 PASS
Susceptibility YY -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-06 3.000000006636583e-06 PASS
Susceptibility ZZ -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-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 1.682393800000000e-01 1.682394300000000e-01 2.500000000000000e-07 -5.000000000143778e-08 PASS
Re epsilon at k-point 3.214340900000000e-01 3.214342000000000e-01 1.610000000000000e-06 -1.099999999976120e-07 PASS
Re epsilon at k-point -7.435805399999999e-08 0.000000000000000e+00 1.000000000000000e-07 -7.435805399999999e-08 PASS
Im epsilon at k-point 2.613202600000000e-03 2.613383900000000e-03 3.840000000000000e-07 -1.812999999998080e-07 PASS
Im epsilon at k-point 2.613432700000000e-03 2.613410000000000e-03 4.330000000000000e-07 2.269999999993458e-08 PASS
Im epsilon at k-point -4.419857000000000e-09 1.557159700000000e-08 1.100000000000000e-07 -1.999145400000000e-08 PASS
Mag.-opt. Re alpha -1.348498900000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348498900000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348498900000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.399999999875725e-07 PASS
Mag.-opt. Re alpha -1.348498900000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.399999999875725e-07 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655300300000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.999999998420932e-08 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.000000000682012e-10 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.000000000682012e-10 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.000000000682012e-10 PASS
Mag.-opt. Im epsilon 2.766566800000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.000000000682012e-10 PASS
MO Re eps (w/o G=0) -1.393536200000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.549999999909528e-09 PASS
MO Re eps (w/o G=0) -1.393536200000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.549999999909528e-09 PASS
MO Re eps (w/o G=0) -1.393536200000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.549999999909528e-09 PASS
MO Re eps (w/o G=0) -1.393536200000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.549999999909528e-09 PASS
Mag.-opt. Re eps at kpt -1.202046100000000e-03 -1.202049500000000e-03 6.930000000000000e-09 3.400000000075218e-09 PASS
Mag.-opt. Im eps at kpt 2.645924600000000e-03 2.645921800000000e-03 5.940000000000000e-09 2.799999999653774e-09 PASS
Mag.-opt. Im eps at kpt 4.802627200000000e-03 4.802627400000000e-03 4.700000000000000e-09 -2.000000000682012e-10 PASS
Compare to other inputs