Input 06-rdmft.02-gs_basis.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-serial-debug: [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 | -1.150819645100000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372533999999149e-04 | PASS |
| RDMFT highest occupation number | 1.935739545351000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.971683200003739e-05 | PASS |