Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
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 | -8.890050307200000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -5.847674500003563e-05 | PASS |
dRDMFT total mode occupation | 8.309018930800000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.314077300000049e-04 | PASS |
dRDMFT highest occupation number | 1.923817546616000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 8.255123564999689e-04 | PASS |