Input 01-cosh_2e_1d.01-gs.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF converged | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -6.356610000000000e-01 | -6.356610000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -3.965700000000000e-01 | -3.965700000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -3.815590000000000e-01 | -3.815590000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix 1 | 8.229000000000000e-01 | 8.229000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix 2 | 4.742000000000000e-01 | 4.742000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Density matrix 3 | 4.888000000000000e-01 | 4.888000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |