Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-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 | -1.176087140900000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172079000000160e-04 | PASS |
| RDMFT highest occupation number | 1.946763499148000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321780599991776e-05 | PASS |