Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523186e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 52] | -1.351221767670760e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -6.217248937900877e-14 | PASS |
| Multipoles [step 0] | 4.260848421430677e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.260848421430677e-16 | PASS |
| Multipoles [step 52] | -3.817238054774357e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -9.606031248221569e-16 | PASS |