Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523198e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.030286966852145e-13 | PASS |
| Energy [step 52] | -1.351221767670773e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.865174681370263e-13 | PASS |
| Multipoles [step 0] | -4.149252092652128e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.149252092652128e-16 | PASS |
| Multipoles [step 52] | -3.817238054721474e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | 5.192200835946181e-14 | PASS |