Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss_mpi_debug_autotools: [foss2023a-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 | -8.889798943800000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.334040500002633e-05 | PASS |
| dRDMFT total mode occupation | 8.304627209200000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.753249460000050e-04 | PASS |
| dRDMFT highest occupation number | 1.924037289795000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 1.045255535500056e-03 | PASS |