Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-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 | -1.176087141200000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172082000000408e-04 | PASS |
| RDMFT highest occupation number | 1.946763503023000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321393100004123e-05 | PASS |