Input 06-rdmft.03-gs_grid.inp
Commits >
Commit b08cdf9f90eeeab45fcb6d927fb00af611869fe1 >
Run foss-parallel-debug: [foss2023a-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 | -1.176087139900000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172068999999333e-04 | PASS |
| RDMFT highest occupation number | 1.946763498199000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321875499990746e-05 | PASS |