Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
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 | -1.150819647700000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372559999999080e-04 | PASS |
| RDMFT highest occupation number | 1.935739549586000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.972106699994370e-05 | PASS |