Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864118e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196483681088e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934518e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563716787703e-06 | PASS |
| Benzene Multipoles [step 0] | -1.198745029123316e-16 | 0.000000000000000e+00 | 1.000000000000000e-10 | -1.198745029123316e-16 | PASS |
| Benzene Multipoles [step 20] | -9.520478523995544e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349261075913807e-09 | PASS |