Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cmake: [foss2022a-mpi, foss-full-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 | -8.889811727900000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.461881499999819e-05 | PASS |
dRDMFT total mode occupation | 8.308719509800000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.344019400000007e-04 | PASS |
dRDMFT highest occupation number | 1.923872398289000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 8.803640295000914e-04 | PASS |