Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523186e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 2.309263891220326e-14 | PASS |
| Energy [step 52] | -1.351221767670772e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.829647544582258e-13 | PASS |
| Multipoles [step 0] | 3.342006836241516e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.342006836241516e-16 | PASS |
| Multipoles [step 52] | -3.817238054778441e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -5.045009549009549e-15 | PASS |