Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-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 | -4.966259600000000e-01 | -4.966259600000000e-01 | 3.000000000000000e-07 | 0.000000000000000e+00 | PASS |