Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523209e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -2.096101070492296e-13 | PASS |
| Energy [step 52] | -1.351221767670787e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.321787289678468e-13 | PASS |
| Multipoles [step 0] | 1.945248785970277e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.945248785970277e-16 | PASS |
| Multipoles [step 52] | -3.817238054778672e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -5.275727771314465e-15 | PASS |