Input 06-rdmft.03-gs_grid.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_omp_autotools: [intel2022a-serial]
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 | -1.176087146300000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172133000000187e-04 | PASS |
| RDMFT highest occupation number | 1.946763515292000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.320166200000308e-05 | PASS |