Input 06-h2o_pol_lr.04_emresp_mo.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_mpi_autotools: [intel2023a-mpi]
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 | -7.288632600000000e-03 | -7.288633700000000e-03 | 3.640000000000000e-09 | 1.099999999941426e-09 | PASS |
| Mag.-opt. av Im w=0.1 | 2.416207000000000e-02 | 2.416207200000000e-02 | 1.210000000000000e-08 | -2.000000002416735e-09 | PASS |
| Mag.-opt. Re eps w=0.1 | -7.824321300000000e-06 | -7.824322200000001e-06 | 3.910000000000000e-12 | 9.000000011471620e-13 | PASS |
| Mag.-opt. Im eps w=0.1 | 2.535605900000000e-05 | 2.535606200000000e-05 | 1.270000000000000e-11 | -3.000000001565119e-12 | PASS |