Input 27-Ar.03-em_resp_mo.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983360000000e+02 -1.130983400000000e+02 8.250000000000001e-06 4.000000004111826e-06 PASS
Susceptibility YY -1.130983360000000e+02 -1.130983400000000e+02 8.250000000000001e-06 4.000000004111826e-06 PASS
Susceptibility ZZ -1.130983360000000e+02 -1.130983400000000e+02 8.250000000000001e-06 4.000000004111826e-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 1.682393100000000e-01 1.682394300000000e-01 2.500000000000000e-07 -1.199999999923484e-07 PASS
Re epsilon at k-point 3.214340800000000e-01 3.214342000000000e-01 1.610000000000000e-06 -1.199999999923484e-07 PASS
Re epsilon at k-point -1.901162300000000e-09 0.000000000000000e+00 1.690000000000000e-07 -1.901162300000000e-09 PASS
Im epsilon at k-point 2.613087200000000e-03 2.613430500000000e-03 3.780000000000000e-07 -3.432999999999735e-07 PASS
Im epsilon at k-point 2.613114300000000e-03 2.613410000000000e-03 4.330000000000000e-07 -2.957000000002215e-07 PASS
Im epsilon at k-point -9.210390500000000e-10 1.557159700000000e-08 1.100000000000000e-07 -1.649263605000000e-08 PASS
Mag.-opt. Re alpha -1.348498800000000e-01 -1.348503100000000e-01 6.380000000000000e-07 4.299999999957116e-07 PASS
Mag.-opt. Re alpha -1.348498800000000e-01 -1.348503100000000e-01 6.380000000000000e-07 4.299999999957116e-07 PASS
Mag.-opt. Re alpha -1.348498800000000e-01 -1.348503100000000e-01 6.380000000000000e-07 4.299999999957116e-07 PASS
Mag.-opt. Re alpha -1.348498800000000e-01 -1.348503100000000e-01 6.380000000000000e-07 4.299999999957116e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.399999999846969e-07 PASS
MO Im alpha (w/o G=0) 2.655302400000000e-01 2.655300000000000e-01 2.700000000000000e-07 2.399999999846969e-07 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.399999999951052e-09 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.399999999951052e-09 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.399999999951052e-09 PASS
Mag.-opt. Im epsilon 2.766569000000000e-03 2.766566600000000e-03 2.810000000000000e-09 2.399999999951052e-09 PASS
MO Re eps (w/o G=0) -1.393536100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 4.400000000199383e-09 PASS
MO Re eps (w/o G=0) -1.393536100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 4.400000000199383e-09 PASS
MO Re eps (w/o G=0) -1.393536100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 4.400000000199383e-09 PASS
MO Re eps (w/o G=0) -1.393536100000000e-03 -1.393540500000000e-03 6.600000000000000e-09 4.400000000199383e-09 PASS
Mag.-opt. Re eps at kpt -1.202046300000000e-03 -1.202049500000000e-03 7.810000000000000e-09 3.200000000223857e-09 PASS
Mag.-opt. Im eps at kpt 2.645926600000000e-03 2.645925600000000e-03 3.580000000000000e-09 1.000000000341006e-09 PASS
Mag.-opt. Im eps at kpt 4.802630400000000e-03 4.802627400000000e-03 4.700000000000000e-09 2.999999999288294e-09 PASS
Compare to other inputs