Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523186e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 52] | -1.351221767670755e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.065814103640150e-14 | PASS |
| Multipoles [step 0] | -2.405343344130980e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.405343344130980e-16 | PASS |
| Multipoles [step 52] | -3.817238054789367e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -1.597073168158047e-14 | PASS |