Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-parallel-debug: [intel2023a-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 | -1.150819625400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372337000000613e-04 | PASS |
| RDMFT highest occupation number | 1.935739515754000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.968723500007542e-05 | PASS |