Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_valgrind_autotools: [foss2023a-serial]
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 |