Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_cuda_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] | -1.351221767670784e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.984279490192421e-13 | PASS |
| Multipoles [step 0] | 1.662256209541128e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.662256209541128e-16 | PASS |
| Multipoles [step 52] | -3.817238054760261e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 1.313489247922739e-14 | PASS |