Input 06-rdmft.03-gs_grid.inp
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 | -1.176087139700000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172066999999167e-04 | PASS |
RDMFT highest occupation number | 1.946763497548000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321940600005014e-05 | PASS |