Input 27-Ar.03-em_resp_mo.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-06 2.000000009161340e-06 PASS
Susceptibility YY -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-06 2.000000009161340e-06 PASS
Susceptibility ZZ -1.130983360000000e+02 -1.130983380000000e+02 6.050000000000000e-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 1.682394100000000e-01 1.682394300000000e-01 2.500000000000000e-07 -1.999999998947288e-08 PASS
Re epsilon at k-point 3.214340600000000e-01 3.214342000000000e-01 1.610000000000000e-06 -1.399999999818213e-07 PASS
Re epsilon at k-point 5.473919500000000e-08 0.000000000000000e+00 1.690000000000000e-07 5.473919500000000e-08 PASS
Im epsilon at k-point 2.613145500000000e-03 2.613383900000000e-03 3.840000000000000e-07 -2.383999999997638e-07 PASS
Im epsilon at k-point 2.613114800000000e-03 2.613410000000000e-03 4.330000000000000e-07 -2.952000000000510e-07 PASS
Im epsilon at k-point -2.413208300000000e-08 1.557159700000000e-08 1.100000000000000e-07 -3.970368000000000e-08 PASS
Mag.-opt. Re alpha -1.348497800000000e-01 -1.348502300000000e-01 5.500000000000000e-07 4.499999999851845e-07 PASS
Mag.-opt. Re alpha -1.348497800000000e-01 -1.348502300000000e-01 5.500000000000000e-07 4.499999999851845e-07 PASS
Mag.-opt. Re alpha -1.348497800000000e-01 -1.348502300000000e-01 5.500000000000000e-07 4.499999999851845e-07 PASS
Mag.-opt. Re alpha -1.348497800000000e-01 -1.348502300000000e-01 5.500000000000000e-07 4.499999999851845e-07 PASS
MO Im alpha (w/o G=0) 2.655301500000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.500000000320689e-07 PASS
MO Im alpha (w/o G=0) 2.655301500000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.500000000320689e-07 PASS
MO Im alpha (w/o G=0) 2.655301500000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.500000000320689e-07 PASS
MO Im alpha (w/o G=0) 2.655301500000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.500000000320689e-07 PASS
Mag.-opt. Im epsilon 2.766568100000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766568100000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766568100000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.500000000077828e-09 PASS
Mag.-opt. Im epsilon 2.766568100000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.500000000077828e-09 PASS
MO Re eps (w/o G=0) -1.393535000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 4.749999999885055e-09 PASS
MO Re eps (w/o G=0) -1.393535000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 4.749999999885055e-09 PASS
MO Re eps (w/o G=0) -1.393535000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 4.749999999885055e-09 PASS
MO Re eps (w/o G=0) -1.393535000000000e-03 -1.393539750000000e-03 5.660000000000000e-09 4.749999999885055e-09 PASS
Mag.-opt. Re eps at kpt -1.202043000000000e-03 -1.202049500000000e-03 7.810000000000000e-09 6.500000000048134e-09 PASS
Mag.-opt. Im eps at kpt 2.645925900000000e-03 2.645921800000000e-03 5.940000000000000e-09 4.099999999663401e-09 PASS
Mag.-opt. Im eps at kpt 4.802628700000000e-03 4.802627400000000e-03 4.700000000000000e-09 1.300000000009627e-09 PASS
Compare to other inputs