Input 06-rdmft.03-gs_grid.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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 |