Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Benzene Energy [step 0] | -3.744578880864100e+01 | -3.744578235744470e+01 | 1.000000000000000e-04 | -6.451196298939976e-06 | PASS |
| Benzene Energy [step 20] | -3.744529933934513e+01 | -3.744529289078146e+01 | 1.000000000000000e-04 | -6.448563667049712e-06 | PASS |
| Benzene Multipoles [step 0] | -3.842122168190644e-15 | 0.000000000000000e+00 | 1.000000000000000e-10 | -3.842122168190644e-15 | PASS |
| Benzene Multipoles [step 20] | -9.520478524027201e-04 | -9.520492016606303e-04 | 1.000000000000000e-07 | 1.349257910260304e-09 | PASS |