Input 06-rdmft.02-gs_basis.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
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 |
| RDMFT converged energy | -1.150739990200000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.575984999999669e-04 | PASS |
| RDMFT highest occupation number | 1.935638146626000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.168189299999739e-05 | PASS |