Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983380000000e+02 -1.130983400000000e+02 8.250000000000001e-06 2.000000009161340e-06 PASS
Susceptibility YY -1.130983380000000e+02 -1.130983400000000e+02 8.250000000000001e-06 2.000000009161340e-06 PASS
Susceptibility ZZ -1.130983380000000e+02 -1.130983400000000e+02 8.250000000000001e-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) 1.489900000000000e-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 1.682393900000000e-01 1.682394300000000e-01 2.500000000000000e-07 -4.000000000670134e-08 PASS
Re epsilon at k-point 3.214341100000000e-01 3.214342000000000e-01 1.610000000000000e-06 -9.000000000813912e-08 PASS
Re epsilon at k-point -7.139186700000000e-08 0.000000000000000e+00 1.690000000000000e-07 -7.139186700000000e-08 PASS
Im epsilon at k-point 2.613231000000000e-03 2.613339000000000e-03 3.530000000000000e-07 -1.079999999999658e-07 PASS
Im epsilon at k-point 2.613087400000000e-03 2.613410000000000e-03 4.330000000000000e-07 -3.225999999998536e-07 PASS
Im epsilon at k-point 1.483309600000000e-10 1.557159700000000e-08 1.100000000000000e-07 -1.542326604000000e-08 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.100000000004876e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 1.330000000000000e-04 2.399999999846969e-07 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766568000000000e-03 1.760000000000000e-09 9.999999999073250e-10 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766568000000000e-03 1.760000000000000e-09 9.999999999073250e-10 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766568000000000e-03 1.760000000000000e-09 9.999999999073250e-10 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766568000000000e-03 1.760000000000000e-09 9.999999999073250e-10 PASS
MO Re eps (w/o G=0) -1.393534500000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.099999999848751e-09 PASS
MO Re eps (w/o G=0) -1.393534500000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.099999999848751e-09 PASS
MO Re eps (w/o G=0) -1.393534500000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.099999999848751e-09 PASS
MO Re eps (w/o G=0) -1.393534500000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.099999999848751e-09 PASS
Mag.-opt. Re eps at kpt -1.202045200000000e-03 -1.202049500000000e-03 7.810000000000000e-09 4.300000000165283e-09 PASS
Mag.-opt. Im eps at kpt 2.645926800000000e-03 2.645925600000000e-03 3.580000000000000e-09 1.200000000409207e-09 PASS
Mag.-opt. Im eps at kpt 4.802630000000000e-03 4.802627400000000e-03 4.700000000000000e-09 2.599999999151892e-09 PASS
Compare to other inputs