Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_cuda_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 | -1.150740016900000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576251999999556e-04 | PASS |
| RDMFT highest occupation number | 1.935638287893000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.154062599989963e-05 | PASS |