Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_opt_autotools: [foss2023a-serial]
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 | -1.150819630900000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372392000000723e-04 | PASS |
| RDMFT highest occupation number | 1.935739549206000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.972068700013430e-05 | PASS |