Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983390000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -9.999999832643880e-07 PASS
Susceptibility YY -1.130983390000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -9.999999832643880e-07 PASS
Susceptibility ZZ -1.130983390000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -9.999999832643880e-07 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 1.682395900000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.599999999990498e-07 PASS
Re epsilon at k-point 3.214342000000000e-01 3.214342000000000e-01 1.610000000000000e-06 0.000000000000000e+00 PASS
Re epsilon at k-point 9.846540199999999e-09 0.000000000000000e+00 1.690000000000000e-07 9.846540199999999e-09 PASS
Im epsilon at k-point 2.613625000000000e-03 2.613383900000000e-03 3.840000000000000e-07 2.411000000002508e-07 PASS
Im epsilon at k-point 2.613471200000000e-03 2.613410000000000e-03 4.330000000000000e-07 6.120000000005288e-08 PASS
Im epsilon at k-point -7.348389100000000e-09 1.557159700000000e-08 1.100000000000000e-07 -2.291998610000000e-08 PASS
Mag.-opt. Re alpha -1.348502700000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -4.000000000670134e-08 PASS
Mag.-opt. Re alpha -1.348502700000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -4.000000000670134e-08 PASS
Mag.-opt. Re alpha -1.348502700000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -4.000000000670134e-08 PASS
Mag.-opt. Re alpha -1.348502700000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -4.000000000670134e-08 PASS
MO Im alpha (w/o G=0) 2.655298500000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.499999999765578e-07 PASS
MO Im alpha (w/o G=0) 2.655298500000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.499999999765578e-07 PASS
MO Im alpha (w/o G=0) 2.655298500000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.499999999765578e-07 PASS
MO Im alpha (w/o G=0) 2.655298500000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.499999999765578e-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) -1.393540100000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -3.500000001193521e-10 PASS
MO Re eps (w/o G=0) -1.393540100000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -3.500000001193521e-10 PASS
MO Re eps (w/o G=0) -1.393540100000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -3.500000001193521e-10 PASS
MO Re eps (w/o G=0) -1.393540100000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -3.500000001193521e-10 PASS
Mag.-opt. Re eps at kpt -1.202047800000000e-03 -1.202049500000000e-03 7.810000000000000e-09 1.700000000146029e-09 PASS
Mag.-opt. Im eps at kpt 2.645922500000000e-03 2.645921800000000e-03 5.940000000000000e-09 6.999999998050233e-10 PASS
Mag.-opt. Im eps at kpt 4.802625400000000e-03 4.802627400000000e-03 4.700000000000000e-09 -2.000000000682012e-09 PASS
Compare to other inputs