Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_debug_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 | -1.150819627600000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372359000000213e-04 | PASS |
| RDMFT highest occupation number | 1.935739527986000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.969946699993287e-05 | PASS |