Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-cmake-zen4: [foss2023a-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 | -8.889785857400000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.203176499999572e-05 | PASS |
dRDMFT total mode occupation | 8.317742135099999e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -4.417568700000596e-05 | PASS |
dRDMFT highest occupation number | 1.923056905163000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 6.487090350004721e-05 | PASS |