Input 27-Ar.03-em_resp_mo.inp

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983480000000e+02 -1.130983400000000e+02 8.250000000000001e-06 -7.999999994012796e-06 PASS
Susceptibility YY -1.130983480000000e+02 -1.130983400000000e+02 8.250000000000001e-06 -7.999999994012796e-06 PASS
Susceptibility ZZ -1.130983480000000e+02 -1.130983400000000e+02 8.250000000000001e-06 -7.999999994012796e-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) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps YY (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps ZZ (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Im eps av (LRC, w/o G=0) 1.490000000000000e-02 1.489900000000000e-02 7.450000000000000e-06 9.999999999975306e-07 PASS
Re epsilon at k-point 1.682396000000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.699999999937862e-07 PASS
Re epsilon at k-point 3.214343800000000e-01 3.214342000000000e-01 1.610000000000000e-06 1.800000000162782e-07 PASS
Re epsilon at k-point -1.863218600000000e-08 0.000000000000000e+00 1.690000000000000e-07 -1.863218600000000e-08 PASS
Im epsilon at k-point 2.613686300000000e-03 2.613430500000000e-03 3.780000000000000e-07 2.558000000000595e-07 PASS
Im epsilon at k-point 2.613542400000000e-03 2.613410000000000e-03 4.330000000000000e-07 1.324000000000464e-07 PASS
Im epsilon at k-point 1.257378200000000e-09 1.557159700000000e-08 1.100000000000000e-07 -1.431421880000000e-08 PASS
Mag.-opt. Re alpha -1.348504900000000e-01 -1.348503100000000e-01 6.380000000000000e-07 -1.799999999885227e-07 PASS
Mag.-opt. Re alpha -1.348504900000000e-01 -1.348503100000000e-01 6.380000000000000e-07 -1.799999999885227e-07 PASS
Mag.-opt. Re alpha -1.348504900000000e-01 -1.348503100000000e-01 6.380000000000000e-07 -1.799999999885227e-07 PASS
Mag.-opt. Re alpha -1.348504900000000e-01 -1.348503100000000e-01 6.380000000000000e-07 -1.799999999885227e-07 PASS
MO Im alpha (w/o G=0) 2.655298600000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.399999999818213e-07 PASS
MO Im alpha (w/o G=0) 2.655298600000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.399999999818213e-07 PASS
MO Im alpha (w/o G=0) 2.655298600000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.399999999818213e-07 PASS
MO Im alpha (w/o G=0) 2.655298600000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.399999999818213e-07 PASS
Mag.-opt. Im epsilon 2.766565000000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.600000000111929e-09 PASS
Mag.-opt. Im epsilon 2.766565000000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.600000000111929e-09 PASS
Mag.-opt. Im epsilon 2.766565000000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.600000000111929e-09 PASS
Mag.-opt. Im epsilon 2.766565000000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.600000000111929e-09 PASS
MO Re eps (w/o G=0) -1.393542400000000e-03 -1.393540500000000e-03 6.600000000000000e-09 -1.899999999780549e-09 PASS
MO Re eps (w/o G=0) -1.393542400000000e-03 -1.393540500000000e-03 6.600000000000000e-09 -1.899999999780549e-09 PASS
MO Re eps (w/o G=0) -1.393542400000000e-03 -1.393540500000000e-03 6.600000000000000e-09 -1.899999999780549e-09 PASS
MO Re eps (w/o G=0) -1.393542400000000e-03 -1.393540500000000e-03 6.600000000000000e-09 -1.899999999780549e-09 PASS
Mag.-opt. Re eps at kpt -1.202051100000000e-03 -1.202049500000000e-03 7.810000000000000e-09 -1.599999999895088e-09 PASS
Mag.-opt. Im eps at kpt 2.645923200000000e-03 2.645925600000000e-03 3.580000000000000e-09 -2.399999999517372e-09 PASS
Mag.-opt. Im eps at kpt 4.802626100000000e-03 4.802627400000000e-03 4.700000000000000e-09 -1.300000000009627e-09 PASS
Compare to other inputs