Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
dRDMFT converged energy | -8.889767835100000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.022953499998149e-05 | PASS |
dRDMFT total mode occupation | 8.324351185999999e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | 2.191482199999373e-05 | PASS |
dRDMFT highest occupation number | 1.922782414972000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | -2.096192874998515e-04 | PASS |