Input 06-rdmft.01-ip.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-04 | 0.000000000000000e+00 | PASS |
| IP energy | -1.847581580000000e+00 | -1.847581610000000e+00 | 9.239999999999999e-08 | 3.000000003972048e-08 | PASS |
| IP eigenvalue | -1.272389000000000e+00 | -1.272390000000000e+00 | 6.360000000000000e-06 | 9.999999999177334e-07 | PASS |