Input 06-rdmft.03-gs_grid.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_cmake: [foss2022a-mpi, foss-min-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 | -1.176087136100000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172031000000629e-04 | PASS |
| RDMFT highest occupation number | 1.946763482926000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.323402799988330e-05 | PASS |