Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523187e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 52] | -1.351221767670749e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 4.973799150320701e-14 | PASS |
| Multipoles [step 0] | -2.418580226296328e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.418580226296328e-16 | PASS |
| Multipoles [step 52] | -3.817238054789470e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -1.607351404753210e-14 | PASS |