Input 27-Ar.03-em_resp_mo.inp

Commits > Commit f8acf19c290dd45fdc983dc97ea0d33866cdf665 > Run intel-2022a_omp_impi

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-06 PASS
Susceptibility YY -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-06 PASS
Susceptibility ZZ -1.130983340000000e+02 -1.130983380000000e+02 6.050000000000000e-06 4.000000018322680e-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 1.682394000000000e-01 1.682394300000000e-01 2.500000000000000e-07 -2.999999998420932e-08 PASS
Re epsilon at k-point 3.214341600000000e-01 3.214342000000000e-01 1.610000000000000e-06 -3.999999997894577e-08 PASS
Re epsilon at k-point -1.512726800000000e-08 0.000000000000000e+00 1.000000000000000e-07 -1.512726800000000e-08 PASS
Im epsilon at k-point 2.613382900000000e-03 2.613383900000000e-03 3.840000000000000e-07 -9.999999999073250e-10 PASS
Im epsilon at k-point 2.613301800000000e-03 2.613410000000000e-03 4.330000000000000e-07 -1.082000000000340e-07 PASS
Im epsilon at k-point 2.252950500000000e-10 1.557159700000000e-08 1.100000000000000e-07 -1.534630195000000e-08 PASS
Mag.-opt. Re alpha -1.348500000000000e-01 -1.348502300000000e-01 5.500000000000000e-07 2.299999999899605e-07 PASS
Mag.-opt. Re alpha -1.348500000000000e-01 -1.348502300000000e-01 5.500000000000000e-07 2.299999999899605e-07 PASS
Mag.-opt. Re alpha -1.348500000000000e-01 -1.348502300000000e-01 5.500000000000000e-07 2.299999999899605e-07 PASS
Mag.-opt. Re alpha -1.348500000000000e-01 -1.348502300000000e-01 5.500000000000000e-07 2.299999999899605e-07 PASS
MO Im alpha (w/o G=0) 2.655298900000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.099999999976120e-07 PASS
MO Im alpha (w/o G=0) 2.655298900000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.099999999976120e-07 PASS
MO Im alpha (w/o G=0) 2.655298900000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.099999999976120e-07 PASS
MO Im alpha (w/o G=0) 2.655298900000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.099999999976120e-07 PASS
Mag.-opt. Im epsilon 2.766565300000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.300000000009627e-09 PASS
Mag.-opt. Im epsilon 2.766565300000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.300000000009627e-09 PASS
Mag.-opt. Im epsilon 2.766565300000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.300000000009627e-09 PASS
Mag.-opt. Im epsilon 2.766565300000000e-03 2.766566600000000e-03 2.810000000000000e-09 -1.300000000009627e-09 PASS
MO Re eps (w/o G=0) -1.393537300000000e-03 -1.393539750000000e-03 5.660000000000000e-09 2.449999999968103e-09 PASS
MO Re eps (w/o G=0) -1.393537300000000e-03 -1.393539750000000e-03 5.660000000000000e-09 2.449999999968103e-09 PASS
MO Re eps (w/o G=0) -1.393537300000000e-03 -1.393539750000000e-03 5.660000000000000e-09 2.449999999968103e-09 PASS
MO Re eps (w/o G=0) -1.393537300000000e-03 -1.393539750000000e-03 5.660000000000000e-09 2.449999999968103e-09 PASS
Mag.-opt. Re eps at kpt -1.202045900000000e-03 -1.202049500000000e-03 6.930000000000000e-09 3.600000000143419e-09 PASS
Mag.-opt. Im eps at kpt 2.645924200000000e-03 2.645921800000000e-03 5.940000000000000e-09 2.399999999951052e-09 PASS
Mag.-opt. Im eps at kpt 4.802624900000000e-03 4.802627400000000e-03 4.700000000000000e-09 -2.500000000418834e-09 PASS
Compare to other inputs