Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
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 | -1.176087140000000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172069999999415e-04 | PASS |
| RDMFT highest occupation number | 1.946763497588000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321936600004683e-05 | PASS |