Input 27-Ar.03-em_resp_mo.inp

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

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 1.682393700000000e-01 1.682394300000000e-01 2.500000000000000e-07 -5.999999999617422e-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 -4.545758600000000e-10 0.000000000000000e+00 1.690000000000000e-07 -4.545758600000000e-10 PASS
Im epsilon at k-point 2.613084500000000e-03 2.613339000000000e-03 3.530000000000000e-07 -2.545000000000498e-07 PASS
Im epsilon at k-point 2.613088800000000e-03 2.613410000000000e-03 4.330000000000000e-07 -3.212000000002435e-07 PASS
Im epsilon at k-point 1.706592800000000e-09 1.557159700000000e-08 1.100000000000000e-07 -1.386500420000000e-08 PASS
Mag.-opt. Re alpha -1.348497100000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.199999999952240e-07 PASS
Mag.-opt. Re alpha -1.348497100000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.199999999952240e-07 PASS
Mag.-opt. Re alpha -1.348497100000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.199999999952240e-07 PASS
Mag.-opt. Re alpha -1.348497100000000e-01 -1.348499300000000e-01 2.860000000000000e-07 2.199999999952240e-07 PASS
MO Im alpha (w/o G=0) 2.655303300000000e-01 2.655300000000000e-01 1.330000000000000e-04 3.299999999928360e-07 PASS
MO Im alpha (w/o G=0) 2.655303300000000e-01 2.655300000000000e-01 1.330000000000000e-04 3.299999999928360e-07 PASS
MO Im alpha (w/o G=0) 2.655303300000000e-01 2.655300000000000e-01 1.330000000000000e-04 3.299999999928360e-07 PASS
MO Im alpha (w/o G=0) 2.655303300000000e-01 2.655300000000000e-01 1.330000000000000e-04 3.299999999928360e-07 PASS
Mag.-opt. Im epsilon 2.766569900000000e-03 2.766568200000000e-03 2.420000000000000e-09 1.699999999712348e-09 PASS
Mag.-opt. Im epsilon 2.766569900000000e-03 2.766568200000000e-03 2.420000000000000e-09 1.699999999712348e-09 PASS
Mag.-opt. Im epsilon 2.766569900000000e-03 2.766568200000000e-03 2.420000000000000e-09 1.699999999712348e-09 PASS
Mag.-opt. Im epsilon 2.766569900000000e-03 2.766568200000000e-03 2.420000000000000e-09 1.699999999712348e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.199999999882851e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.199999999882851e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.199999999882851e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393536600000000e-03 2.970000000000000e-09 2.199999999882851e-09 PASS
Mag.-opt. Re eps at kpt -1.202044500000000e-03 -1.202049500000000e-03 7.810000000000000e-09 5.000000000187146e-09 PASS
Mag.-opt. Im eps at kpt 2.645928000000000e-03 2.645925600000000e-03 3.580000000000000e-09 2.400000000384733e-09 PASS
Mag.-opt. Im eps at kpt 4.802630900000000e-03 4.802627400000000e-03 4.700000000000000e-09 3.499999999892478e-09 PASS
Compare to other inputs