Input 06-h2o_pol_lr.04_emresp_mo.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-serial-full: [foss2023b-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Susceptibility XX | -1.569019710000000e+02 | -1.569019710000000e+02 | 7.849999999999999e-06 | 0.000000000000000e+00 | PASS |
Susceptibility YY | -1.594891250000000e+02 | -1.594891250000000e+02 | 7.970000000000000e-06 | 0.000000000000000e+00 | PASS |
Susceptibility ZZ | -1.574634280000000e+02 | -1.574634280000000e+02 | 7.869999999999999e-06 | 0.000000000000000e+00 | PASS |
Susceptibility av | -1.579515080000000e+02 | -1.579515080000000e+02 | 7.900000000000001e-06 | 0.000000000000000e+00 | PASS |
Polarizability XX w=0.1 | 1.064806400000000e+01 | 1.064806400000000e+01 | 5.320000000000000e-06 | 0.000000000000000e+00 | PASS |
Polarizability YY w=0.1 | 1.077046400000000e+01 | 1.077046400000000e+01 | 5.390000000000000e-06 | 0.000000000000000e+00 | PASS |
Polarizability ZZ w=0.1 | 1.092309400000000e+01 | 1.092309400000000e+01 | 5.460000000000000e-06 | 1.776356839400250e-15 | PASS |
Cross-section av w=0.1 | 1.019182300000000e-03 | 1.019182300000000e-03 | 5.100000000000000e-10 | 0.000000000000000e+00 | PASS |
Mag.-opt. Re alpha w=0.1 | -7.288634500000000e-03 | -7.288633700000000e-03 | 3.640000000000000e-09 | -8.000000002728047e-10 | PASS |
Mag.-opt. av Im w=0.1 | 2.416207300000000e-02 | 2.416207200000000e-02 | 1.210000000000000e-08 | 9.999999960041972e-10 | PASS |
Mag.-opt. Re eps w=0.1 | -7.824323100000000e-06 | -7.824322200000001e-06 | 3.910000000000000e-12 | -8.999999994530961e-13 | PASS |
Mag.-opt. Im eps w=0.1 | 2.535605900000000e-05 | 2.535606200000000e-05 | 1.270000000000000e-11 | -3.000000001565119e-12 | PASS |