Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523187e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 52] | -1.351221767670757e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -2.842170943040401e-14 | PASS |
| Multipoles [step 0] | -2.864659250361183e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.864659250361183e-16 | PASS |
| Multipoles [step 52] | -3.817238054800168e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -2.677155372388107e-14 | PASS |