Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
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 | -1.150819647400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372557000001052e-04 | PASS |
| RDMFT highest occupation number | 1.935739551006000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.972248700006119e-05 | PASS |