Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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 | -8.890063533200000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -5.979934500000006e-05 | PASS |
| dRDMFT total mode occupation | 8.311329096700000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.083060710000000e-04 | PASS |
| dRDMFT highest occupation number | 1.923644034433000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 6.520001734999781e-04 | PASS |