Input 27-Ar.03-em_resp_mo.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run spack_foss-2022a_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 1.682394700000000e-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 -1.417891100000000e-08 -2.226067900000000e-08 9.430000000000000e-08 8.081768000000000e-09 PASS
Im epsilon at k-point 2.613125200000000e-03 2.613383900000000e-03 3.840000000000000e-07 -2.586999999997473e-07 PASS
Im epsilon at k-point 2.613283900000000e-03 2.613410000000000e-03 4.330000000000000e-07 -1.261000000000664e-07 PASS
Im epsilon at k-point 7.010775300000000e-08 1.557159700000000e-08 6.110000000000000e-08 5.453615600000000e-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) 2.655301400000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.400000000373325e-07 PASS
MO Im alpha (w/o G=0) 2.655301400000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.400000000373325e-07 PASS
MO Im alpha (w/o G=0) 2.655301400000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.400000000373325e-07 PASS
MO Im alpha (w/o G=0) 2.655301400000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.400000000373325e-07 PASS
Mag.-opt. Im epsilon 2.766568000000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.400000000043727e-09 PASS
Mag.-opt. Im epsilon 2.766568000000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.400000000043727e-09 PASS
Mag.-opt. Im epsilon 2.766568000000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.400000000043727e-09 PASS
Mag.-opt. Im epsilon 2.766568000000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.400000000043727e-09 PASS
MO Re eps (w/o G=0) -1.393536500000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.249999999807227e-09 PASS
MO Re eps (w/o G=0) -1.393536500000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.249999999807227e-09 PASS
MO Re eps (w/o G=0) -1.393536500000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.249999999807227e-09 PASS
MO Re eps (w/o G=0) -1.393536500000000e-03 -1.393539750000000e-03 5.660000000000000e-09 3.249999999807227e-09 PASS
Mag.-opt. Re eps at kpt -1.202047800000000e-03 -1.202049500000000e-03 6.930000000000000e-09 1.700000000146029e-09 PASS
Mag.-opt. Im eps at kpt 2.645926100000000e-03 2.645921800000000e-03 5.940000000000000e-09 4.299999999731602e-09 PASS
Mag.-opt. Im eps at kpt 4.802629600000000e-03 4.802627400000000e-03 4.700000000000000e-09 2.199999999882851e-09 PASS
Compare to other inputs