Input 06-rdmft.02-gs_basis.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 | -1.150819622400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372307000000351e-04 | PASS |
RDMFT highest occupation number | 1.935739500947000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.967242800000491e-05 | PASS |