Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864097e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196270518267e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934518e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563723893130e-06 | PASS |
| Benzene Multipoles [step 0] | 1.111003115582031e-14 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.111003115582031e-14 | PASS |
| Benzene Multipoles [step 20] | -9.520478523879123e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349272717968315e-09 | PASS |