Input 01-quadratic_box.03-hartree+xc.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [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 | 3.354003610000000e+00 | 3.354007440000000e+00 | 1.000000000000000e-05 | -3.830000000260014e-06 | PASS |
| Eigenvalue | 2.739403000000000e+00 | 2.739407000000000e+00 | 1.000000000000000e-05 | -4.000000000115023e-06 | PASS |