Input 06-rdmft.02-gs_basis.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 |
| RDMFT converged energy | -1.150739998000000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576062999999461e-04 | PASS |
| RDMFT highest occupation number | 1.935638263999000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.156452000001146e-05 | PASS |