Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_cuda_autotools: [foss2022a-cuda-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 | -1.176116685900000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.467529000000912e-04 | PASS |
| RDMFT highest occupation number | 1.946718678491000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -8.803846299998419e-05 | PASS |