Input 01-octopus_basics-getting_started.02-H_atom_spin.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue | -2.691040000000000e-01 | -2.690730000000000e-01 | 1.000000000000000e-04 | -3.100000000000325e-05 | PASS |
| Total Energy | -4.794392200000000e-01 | -4.794138200000000e-01 | 1.000000000000000e-04 | -2.540000000000875e-05 | PASS |