Input 27-Ar.03-em_resp_mo.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-06 3.000000006636583e-06 PASS
Susceptibility YY -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-06 3.000000006636583e-06 PASS
Susceptibility ZZ -1.130983350000000e+02 -1.130983380000000e+02 6.050000000000000e-06 3.000000006636583e-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 1.682395400000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.099999999976120e-07 PASS
Re epsilon at k-point 3.214341100000000e-01 3.214342000000000e-01 1.610000000000000e-06 -9.000000000813912e-08 PASS
Re epsilon at k-point 1.319593900000000e-09 0.000000000000000e+00 1.690000000000000e-07 1.319593900000000e-09 PASS
Im epsilon at k-point 2.613117500000000e-03 2.613383900000000e-03 3.840000000000000e-07 -2.663999999997710e-07 PASS
Im epsilon at k-point 2.613599100000000e-03 2.613410000000000e-03 4.330000000000000e-07 1.890999999998658e-07 PASS
Im epsilon at k-point 7.289121300000001e-08 1.557159700000000e-08 1.100000000000000e-07 5.731961600000001e-08 PASS
Mag.-opt. Re alpha -1.348502200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 9.999999994736442e-09 PASS
Mag.-opt. Re alpha -1.348502200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 9.999999994736442e-09 PASS
Mag.-opt. Re alpha -1.348502200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 9.999999994736442e-09 PASS
Mag.-opt. Re alpha -1.348502200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 9.999999994736442e-09 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
MO Im alpha (w/o G=0) 2.655299700000000e-01 2.655300000000000e-01 2.700000000000000e-07 -2.999999998420932e-08 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
Mag.-opt. Im epsilon 2.766566200000000e-03 2.766566600000000e-03 2.810000000000000e-09 -4.000000001364024e-10 PASS
MO Re eps (w/o G=0) -1.393539600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 1.499999998343104e-10 PASS
MO Re eps (w/o G=0) -1.393539600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 1.499999998343104e-10 PASS
MO Re eps (w/o G=0) -1.393539600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 1.499999998343104e-10 PASS
MO Re eps (w/o G=0) -1.393539600000000e-03 -1.393539750000000e-03 5.660000000000000e-09 1.499999998343104e-10 PASS
Mag.-opt. Re eps at kpt -1.202047600000000e-03 -1.202049500000000e-03 7.810000000000000e-09 1.900000000214230e-09 PASS
Mag.-opt. Im eps at kpt 2.645925500000000e-03 2.645921800000000e-03 5.940000000000000e-09 3.699999999960679e-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