Input 27-Ar.03-em_resp_mo.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_intel-2023a_impi

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) 1.489900000000000e-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 3.214341200000000e-01 3.214342000000000e-01 1.610000000000000e-06 -8.000000001340268e-08 PASS
Re epsilon at k-point -6.661066100000000e-08 0.000000000000000e+00 1.690000000000000e-07 -6.661066100000000e-08 PASS
Im epsilon at k-point 2.613192700000000e-03 2.613383900000000e-03 3.840000000000000e-07 -1.911999999997145e-07 PASS
Im epsilon at k-point 2.613294600000000e-03 2.613410000000000e-03 4.330000000000000e-07 -1.153999999998871e-07 PASS
Im epsilon at k-point 4.402994000000000e-08 1.557159700000000e-08 1.100000000000000e-07 2.845834300000000e-08 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 5.099999999813587e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 5.099999999813587e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 5.099999999813587e-07 PASS
Mag.-opt. Re alpha -1.348497200000000e-01 -1.348502300000000e-01 5.500000000000000e-07 5.099999999813587e-07 PASS
MO Im alpha (w/o G=0) 2.655300200000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.999999998947288e-08 PASS
MO Im alpha (w/o G=0) 2.655300200000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.999999998947288e-08 PASS
MO Im alpha (w/o G=0) 2.655300200000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.999999998947288e-08 PASS
MO Im alpha (w/o G=0) 2.655300200000000e-01 2.655300000000000e-01 2.700000000000000e-07 1.999999998947288e-08 PASS
Mag.-opt. Im epsilon 2.766566700000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.000000000341006e-10 PASS
Mag.-opt. Im epsilon 2.766566700000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.000000000341006e-10 PASS
Mag.-opt. Im epsilon 2.766566700000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.000000000341006e-10 PASS
Mag.-opt. Im epsilon 2.766566700000000e-03 2.766566600000000e-03 2.810000000000000e-09 1.000000000341006e-10 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393539750000000e-03 5.660000000000000e-09 5.349999999872818e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393539750000000e-03 5.660000000000000e-09 5.349999999872818e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393539750000000e-03 5.660000000000000e-09 5.349999999872818e-09 PASS
MO Re eps (w/o G=0) -1.393534400000000e-03 -1.393539750000000e-03 5.660000000000000e-09 5.349999999872818e-09 PASS
Mag.-opt. Re eps at kpt -1.202044500000000e-03 -1.202049500000000e-03 7.810000000000000e-09 5.000000000187146e-09 PASS
Mag.-opt. Im eps at kpt 2.645924500000000e-03 2.645921800000000e-03 5.940000000000000e-09 2.700000000053354e-09 PASS
Mag.-opt. Im eps at kpt 4.802625900000000e-03 4.802627400000000e-03 4.700000000000000e-09 -1.500000000077828e-09 PASS
Compare to other inputs