Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351350309405803e+01 | -1.351350309405791e+01 | 3.480000000000000e-13 | -1.154631945610163e-13 | PASS |
| Energy [step 103] | -1.351351009473398e+01 | -1.351351009473370e+01 | 4.500000000000000e-13 | -2.806643806252396e-13 | PASS |
| Multipoles [step 83] | 6.218975444242571e-04 | 6.218975443429170e-04 | 3.000000000000000e-13 | 8.134009958638000e-14 | PASS |
| Multipoles [step 103] | 3.990050594304947e-03 | 3.990050594276555e-03 | 3.000000000000000e-13 | 2.839221913131240e-14 | PASS |