Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523190e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -2.309263891220326e-14 | PASS |
| Energy [step 52] | -1.351221767670759e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -4.440892098500626e-14 | PASS |
| Multipoles [step 0] | -3.029172890620044e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.029172890620044e-16 | PASS |
| Multipoles [step 52] | -3.817238054822924e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | -4.494755262429706e-14 | PASS |