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 | -1.150739999400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576077000000620e-04 | PASS |
RDMFT highest occupation number | 1.935638253218000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.157530099988207e-05 | PASS |