Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 2.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| Initial energy | -4.965787900000000e-01 | -4.965787900000000e-01 | 2.480000000000000e-07 | 0.000000000000000e+00 | PASS |