Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_mpi_omp_autotools: [intel2022a-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 | -1.176087138200000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172052000000146e-04 | PASS |
| RDMFT highest occupation number | 1.946763484619000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.323233499992085e-05 | PASS |