Input 27-Ar.03-em_resp_mo.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-06 PASS
Susceptibility YY -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-06 PASS
Susceptibility ZZ -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-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 1.682394100000000e-01 1.682394300000000e-01 1.870000000000000e-07 -1.999999998947288e-08 PASS
Re epsilon at k-point 3.214340700000000e-01 3.214342000000000e-01 1.610000000000000e-06 -1.299999999870849e-07 PASS
Re epsilon at k-point 8.902472699999999e-09 -2.226067900000000e-08 9.430000000000000e-08 3.116315170000000e-08 PASS
Im epsilon at k-point 2.613196700000000e-03 2.613383900000000e-03 3.460000000000000e-07 -1.871999999996515e-07 PASS
Im epsilon at k-point 2.613156800000000e-03 2.613410000000000e-03 4.330000000000000e-07 -2.532000000000402e-07 PASS
Im epsilon at k-point 2.072564500000000e-09 1.557159700000000e-08 6.110000000000000e-08 -1.349903250000000e-08 PASS
Mag.-opt. Re alpha -1.348499200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.099999999756076e-07 PASS
Mag.-opt. Re alpha -1.348499200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.099999999756076e-07 PASS
Mag.-opt. Re alpha -1.348499200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.099999999756076e-07 PASS
Mag.-opt. Re alpha -1.348499200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 3.099999999756076e-07 PASS
MO Im alpha (w/o G=0) 2.655299300000000e-01 2.655300000000000e-01 2.700000000000000e-07 -6.999999996315509e-08 PASS
MO Im alpha (w/o G=0) 2.655299300000000e-01 2.655300000000000e-01 2.700000000000000e-07 -6.999999996315509e-08 PASS
MO Im alpha (w/o G=0) 2.655299300000000e-01 2.655300000000000e-01 2.700000000000000e-07 -6.999999996315509e-08 PASS
MO Im alpha (w/o G=0) 2.655299300000000e-01 2.655300000000000e-01 2.700000000000000e-07 -6.999999996315509e-08 PASS
Mag.-opt. Im epsilon 2.766565800000000e-03 2.766566600000000e-03 2.810000000000000e-09 -7.999999998391238e-10 PASS
Mag.-opt. Im epsilon 2.766565800000000e-03 2.766566600000000e-03 2.810000000000000e-09 -7.999999998391238e-10 PASS
Mag.-opt. Im epsilon 2.766565800000000e-03 2.766566600000000e-03 2.810000000000000e-09 -7.999999998391238e-10 PASS
Mag.-opt. Im epsilon 2.766565800000000e-03 2.766566600000000e-03 2.810000000000000e-09 -7.999999998391238e-10 PASS
MO Re eps (w/o G=0) -1.393536600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.149999999989966e-09 PASS
MO Re eps (w/o G=0) -1.393536600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.149999999989966e-09 PASS
MO Re eps (w/o G=0) -1.393536600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.149999999989966e-09 PASS
MO Re eps (w/o G=0) -1.393536600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.149999999989966e-09 PASS
Mag.-opt. Re eps at kpt -1.202044800000000e-03 -1.202049500000000e-03 6.930000000000000e-09 4.700000000084845e-09 PASS
Mag.-opt. Im eps at kpt 2.645925400000000e-03 2.645921800000000e-03 5.940000000000000e-09 3.599999999926579e-09 PASS
Mag.-opt. Im eps at kpt 4.802625600000000e-03 4.802627400000000e-03 3.300000000000000e-09 -1.800000000613811e-09 PASS
Compare to other inputs