Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523210e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -2.202682480856311e-13 | PASS |
| Energy [step 52] | -1.351221767670783e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.913225216616411e-13 | PASS |
| Multipoles [step 0] | 1.893038893764615e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.893038893764615e-16 | PASS |
| Multipoles [step 52] | -3.817238054772845e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 5.512083844916305e-16 | PASS |