Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465768e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | 1.261213355974178e-13 | PASS |
| Energy [step 52] | -1.351350086579639e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | 1.332267629550188e-13 | PASS |
| Multipoles [step 0] | -2.954735657792929e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.954735657792929e-16 | PASS |
| Multipoles [step 52] | -3.793333093258758e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | 1.023963899782210e-14 | PASS |