Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523207e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.918465386552271e-13 | PASS |
| Energy [step 52] | -1.351221767670787e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.286260152890463e-13 | PASS |
| Multipoles [step 0] | 2.273163050269729e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.273163050269729e-16 | PASS |
| Multipoles [step 52] | -3.817238054770556e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 2.839742330174033e-15 | PASS |