Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run intel_mpi_autotools: [intel2023a-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 | -1.150819641000000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372493000000198e-04 | PASS |
| RDMFT highest occupation number | 1.935739532717000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.970419799996904e-05 | PASS |