Input 06-rdmft.02-gs_basis.inp
Commits >
Commit e7a2691383642ecf56f17c5ca9d2debd1d27e53e >
Run intel_autotools: [intel2023a-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 | -1.150819647000000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372553000000721e-04 | PASS |
| RDMFT highest occupation number | 1.935739551634000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.972311499993552e-05 | PASS |