Input 13-full_potential_hydrogen.01-gs.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -4.469980000000000e-01 | -4.469980000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -1.071280000000000e-01 | -1.071280000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -1.071279900000000e-01 | -1.071279900000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Current flow | 2.797105071930000e-02 | 2.806997228430000e-02 | 1.000000000000000e-04 | -9.892156499999999e-05 | PASS |
| Magnetic Field at loop center | -1.379452089267260e-05 | -1.382400307025030e-05 | 1.000000000000000e-07 | 2.948217757770054e-08 | PASS |
| 1s <Lx> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 1s <Ly> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 1s <Lz> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 1s <L2> | 7.499999999999999e-05 | 4.200000000000000e-05 | 1.000000000000000e-04 | 3.300000000000000e-05 | PASS |
| 2pz <Lx> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 2pz <Ly> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 2pz <Lz> | -9.999730000000000e-01 | -9.999730000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 2pz <L2> | 2.010492000000000e+00 | 2.010470000000000e+00 | 1.000000000000000e-04 | 2.199999999996649e-05 | PASS |
| Tot <Lx> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Tot <Ly> | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Tot <Lz> | -9.999730000000000e-01 | -9.999730000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Tot <L2> | 2.010492000000000e+00 | 2.010470000000000e+00 | 1.000000000000000e-04 | 2.199999999996649e-05 | PASS |