Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523206e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.794120407794253e-13 | PASS |
| Energy [step 52] | -1.351221767670782e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.806643806252396e-13 | PASS |
| Multipoles [step 0] | 7.645019930114713e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.645019930114713e-17 | PASS |
| Multipoles [step 52] | -3.817238054775483e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -2.087306022469093e-15 | PASS |