Input 16-dressed-rdmft.03-rdmft.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | -8.889721659499999e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -2.561197499995060e-05 | PASS |
| dRDMFT total mode occupation | 8.304739127700000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -1.742057609999959e-04 | PASS |
| dRDMFT highest occupation number | 1.923875470707000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 8.834364475001077e-04 | PASS |