Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run intel_omp_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 | -1.150819602600000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372108999999512e-04 | PASS |
| RDMFT highest occupation number | 1.935739404459000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.957593999997066e-05 | PASS |