Input 01-quadratic_box.03-hartree+xc.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 2.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Total energy | 3.354003640000000e+00 | 3.354007440000000e+00 | 1.000000000000000e-05 | -3.799999999998249e-06 | PASS |
| Eigenvalue | 2.739403000000000e+00 | 2.739407000000000e+00 | 1.000000000000000e-05 | -4.000000000115023e-06 | PASS |