Input 01-quadratic_box.03-hartree+xc.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_omp_autotools: [intel2022a-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 |