Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523207e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.847411112976260e-13 | PASS |
| Energy [step 52] | -1.351221767670783e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.842170943040401e-13 | PASS |
| Multipoles [step 0] | 1.952994209539248e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.952994209539248e-16 | PASS |
| Multipoles [step 52] | -3.817238054770537e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 2.858824288409778e-15 | PASS |