Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| RDMFT converged energy | -1.176087140500000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172074999999829e-04 | PASS |
| RDMFT highest occupation number | 1.946763500697000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321625699987841e-05 | PASS |