Input 01-octopus_basics-getting_started.02-H_atom_spin.inp
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 | -4.794391000000000e-01 | -4.794138200000000e-01 | 1.000000000000000e-04 | -2.528000000001640e-05 | PASS |