Input 06-rdmft.02-gs_basis.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
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 | -1.150739994300000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576026000000841e-04 | PASS |
| RDMFT highest occupation number | 1.935638242191000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.158632800008391e-05 | PASS |