Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983410000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -2.999999992425728e-06 PASS
Susceptibility YY -1.130983410000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -2.999999992425728e-06 PASS
Susceptibility ZZ -1.130983410000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -2.999999992425728e-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 1.682396100000000e-01 1.682394300000000e-01 1.870000000000000e-07 1.800000000162782e-07 PASS
Re epsilon at k-point 3.214344200000000e-01 3.214342000000000e-01 1.610000000000000e-06 2.199999999952240e-07 PASS
Re epsilon at k-point -2.557412800000000e-08 -2.226067900000000e-08 9.430000000000000e-08 -3.313448999999999e-09 PASS
Im epsilon at k-point 2.613732900000000e-03 2.613383900000000e-03 3.840000000000000e-07 3.490000000001825e-07 PASS
Im epsilon at k-point 2.613298300000000e-03 2.613410000000000e-03 4.330000000000000e-07 -1.116999999999264e-07 PASS
Im epsilon at k-point -9.876576000000000e-09 1.557159700000000e-08 6.110000000000000e-08 -2.544817300000000e-08 PASS
Mag.-opt. Re alpha -1.348504400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348504400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348504400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.100000000004876e-07 PASS
Mag.-opt. Re alpha -1.348504400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -2.100000000004876e-07 PASS
MO Im alpha (w/o G=0) 2.655299400000000e-01 2.655300000000000e-01 2.700000000000000e-07 -5.999999996841865e-08 PASS
MO Im alpha (w/o G=0) 2.655299400000000e-01 2.655300000000000e-01 2.700000000000000e-07 -5.999999996841865e-08 PASS
MO Im alpha (w/o G=0) 2.655299400000000e-01 2.655300000000000e-01 2.700000000000000e-07 -5.999999996841865e-08 PASS
MO Im alpha (w/o G=0) 2.655299400000000e-01 2.655300000000000e-01 2.700000000000000e-07 -5.999999996841865e-08 PASS
Mag.-opt. Im epsilon 2.766565900000000e-03 2.766566600000000e-03 2.810000000000000e-09 -6.999999998050233e-10 PASS
Mag.-opt. Im epsilon 2.766565900000000e-03 2.766566600000000e-03 2.810000000000000e-09 -6.999999998050233e-10 PASS
Mag.-opt. Im epsilon 2.766565900000000e-03 2.766566600000000e-03 2.810000000000000e-09 -6.999999998050233e-10 PASS
Mag.-opt. Im epsilon 2.766565900000000e-03 2.766566600000000e-03 2.810000000000000e-09 -6.999999998050233e-10 PASS
MO Re eps (w/o G=0) -1.393541900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.150000000082641e-09 PASS
MO Re eps (w/o G=0) -1.393541900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.150000000082641e-09 PASS
MO Re eps (w/o G=0) -1.393541900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.150000000082641e-09 PASS
MO Re eps (w/o G=0) -1.393541900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -2.150000000082641e-09 PASS
Mag.-opt. Re eps at kpt -1.202048100000000e-03 -1.202049500000000e-03 6.930000000000000e-09 1.400000000043727e-09 PASS
Mag.-opt. Im eps at kpt 2.645923800000000e-03 2.645921800000000e-03 5.940000000000000e-09 1.999999999814650e-09 PASS
Mag.-opt. Im eps at kpt 4.802627500000000e-03 4.802627400000000e-03 3.300000000000000e-09 9.999999960041972e-11 PASS
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