Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2023a-serial]
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 | -8.889806917700001e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.413779500005543e-05 | PASS |
dRDMFT total mode occupation | 8.304417736500000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.774196730000011e-04 | PASS |
dRDMFT highest occupation number | 1.923992239391000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 1.000205131500120e-03 | PASS |