Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523195e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -7.283063041541027e-14 | PASS |
| Energy [step 52] | -1.351221767670755e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -3.010961695552872e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.010961695552872e-16 | PASS |
| Multipoles [step 52] | -3.817238054757668e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 2.030797405239149e-14 | PASS |