Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-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 | -1.150819643600000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372519000000128e-04 | PASS |
| RDMFT highest occupation number | 1.935739531808000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.970328899998265e-05 | PASS |