Input 06-rdmft.03-gs_grid.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_min_autotools: [foss2023b-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 | -1.176087138000000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172049999999981e-04 | PASS |
RDMFT highest occupation number | 1.946763487493000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.322946099999392e-05 | PASS |