Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_ppc_autotools: [foss2022a-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 | -1.176087142600000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172095999999346e-04 | PASS |
RDMFT highest occupation number | 1.946763500677000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321627699988007e-05 | PASS |