Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_autotools: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983350000000e+02 -1.130983400000000e+02 8.250000000000001e-06 5.000000001587068e-06 PASS
Susceptibility YY -1.130983350000000e+02 -1.130983400000000e+02 8.250000000000001e-06 5.000000001587068e-06 PASS
Susceptibility ZZ -1.130983350000000e+02 -1.130983400000000e+02 8.250000000000001e-06 5.000000001587068e-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 1.682395600000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.300000000148405e-07 PASS
Re epsilon at k-point 3.214343600000000e-01 3.214342000000000e-01 1.610000000000000e-06 1.599999999712942e-07 PASS
Re epsilon at k-point 6.530359300000001e-08 0.000000000000000e+00 1.690000000000000e-07 6.530359300000001e-08 PASS
Im epsilon at k-point 2.613659900000000e-03 2.613339000000000e-03 3.530000000000000e-07 3.208999999997075e-07 PASS
Im epsilon at k-point 2.613088500000000e-03 2.613410000000000e-03 4.330000000000000e-07 -3.214999999999121e-07 PASS
Im epsilon at k-point 1.957155600000000e-10 1.557159700000000e-08 1.100000000000000e-07 -1.537588144000000e-08 PASS
Mag.-opt. Re alpha -1.348501900000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -2.600000000019254e-07 PASS
Mag.-opt. Re alpha -1.348501900000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -2.600000000019254e-07 PASS
Mag.-opt. Re alpha -1.348501900000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -2.600000000019254e-07 PASS
Mag.-opt. Re alpha -1.348501900000000e-01 -1.348499300000000e-01 2.860000000000000e-07 -2.600000000019254e-07 PASS
MO Im alpha (w/o G=0) 2.655300000000000e-01 2.655300000000000e-01 1.330000000000000e-04 0.000000000000000e+00 PASS
MO Im alpha (w/o G=0) 2.655300000000000e-01 2.655300000000000e-01 1.330000000000000e-04 0.000000000000000e+00 PASS
MO Im alpha (w/o G=0) 2.655300000000000e-01 2.655300000000000e-01 1.330000000000000e-04 0.000000000000000e+00 PASS
MO Im alpha (w/o G=0) 2.655300000000000e-01 2.655300000000000e-01 1.330000000000000e-04 0.000000000000000e+00 PASS
Mag.-opt. Im epsilon 2.766566500000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766566500000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766566500000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766566500000000e-03 2.766568000000000e-03 1.760000000000000e-09 -1.500000000077828e-09 PASS
MO Re eps (w/o G=0) -1.393539300000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -2.700000000053354e-09 PASS
MO Re eps (w/o G=0) -1.393539300000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -2.700000000053354e-09 PASS
MO Re eps (w/o G=0) -1.393539300000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -2.700000000053354e-09 PASS
MO Re eps (w/o G=0) -1.393539300000000e-03 -1.393536600000000e-03 2.970000000000000e-09 -2.700000000053354e-09 PASS
Mag.-opt. Re eps at kpt -1.202049100000000e-03 -1.202049500000000e-03 7.810000000000000e-09 4.000000001364024e-10 PASS
Mag.-opt. Im eps at kpt 2.645924900000000e-03 2.645925600000000e-03 3.580000000000000e-09 -6.999999998050233e-10 PASS
Mag.-opt. Im eps at kpt 4.802628300000000e-03 4.802627400000000e-03 4.700000000000000e-09 8.999999998732244e-10 PASS
Compare to other inputs