Input 27-Ar.03-em_resp_mo.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run intel-2022a

Matches

Name Value Reference Precision Difference Status
Susceptibility XX -1.130983420000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -3.999999989900971e-06 PASS
Susceptibility YY -1.130983420000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -3.999999989900971e-06 PASS
Susceptibility ZZ -1.130983420000000e+02 -1.130983380000000e+02 6.050000000000000e-06 -3.999999989900971e-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 1.682395800000000e-01 1.682394300000000e-01 2.500000000000000e-07 1.500000000043133e-07 PASS
Re epsilon at k-point 3.214343900000000e-01 3.214342000000000e-01 1.610000000000000e-06 1.900000000110147e-07 PASS
Re epsilon at k-point 4.722186000000000e-09 -2.226067900000000e-08 9.430000000000000e-08 2.698286500000000e-08 PASS
Im epsilon at k-point 2.613639700000000e-03 2.613383900000000e-03 3.840000000000000e-07 2.558000000000595e-07 PASS
Im epsilon at k-point 2.613651200000000e-03 2.613410000000000e-03 4.330000000000000e-07 2.411999999998513e-07 PASS
Im epsilon at k-point -1.402570200000000e-09 1.557159700000000e-08 6.110000000000000e-08 -1.697416720000000e-08 PASS
Mag.-opt. Re alpha -1.348507400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -5.100000000091143e-07 PASS
Mag.-opt. Re alpha -1.348507400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -5.100000000091143e-07 PASS
Mag.-opt. Re alpha -1.348507400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -5.100000000091143e-07 PASS
Mag.-opt. Re alpha -1.348507400000000e-01 -1.348502300000000e-01 5.500000000000000e-07 -5.100000000091143e-07 PASS
MO Im alpha (w/o G=0) 2.655298100000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.900000000110147e-07 PASS
MO Im alpha (w/o G=0) 2.655298100000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.900000000110147e-07 PASS
MO Im alpha (w/o G=0) 2.655298100000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.900000000110147e-07 PASS
MO Im alpha (w/o G=0) 2.655298100000000e-01 2.655300000000000e-01 2.700000000000000e-07 -1.900000000110147e-07 PASS
Mag.-opt. Im epsilon 2.766564500000000e-03 2.766566600000000e-03 2.810000000000000e-09 -2.099999999848751e-09 PASS
Mag.-opt. Im epsilon 2.766564500000000e-03 2.766566600000000e-03 2.810000000000000e-09 -2.099999999848751e-09 PASS
Mag.-opt. Im epsilon 2.766564500000000e-03 2.766566600000000e-03 2.810000000000000e-09 -2.099999999848751e-09 PASS
Mag.-opt. Im epsilon 2.766564500000000e-03 2.766566600000000e-03 2.810000000000000e-09 -2.099999999848751e-09 PASS
MO Re eps (w/o G=0) -1.393544900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -5.150000000021457e-09 PASS
MO Re eps (w/o G=0) -1.393544900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -5.150000000021457e-09 PASS
MO Re eps (w/o G=0) -1.393544900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -5.150000000021457e-09 PASS
MO Re eps (w/o G=0) -1.393544900000000e-03 -1.393539750000000e-03 5.660000000000000e-09 -5.150000000021457e-09 PASS
Mag.-opt. Re eps at kpt -1.202056400000000e-03 -1.202049500000000e-03 6.930000000000000e-09 -6.899999999967696e-09 PASS
Mag.-opt. Im eps at kpt 2.645926100000000e-03 2.645921800000000e-03 5.940000000000000e-09 4.299999999731602e-09 PASS
Mag.-opt. Im eps at kpt 4.802624600000000e-03 4.802627400000000e-03 4.700000000000000e-09 -2.800000000087455e-09 PASS
Compare to other inputs