Input 08-spin_orbit_coupling_full.03-unocc.inp
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Eigenvalue 11 | -1.471055700000000e+01 | -1.471055700000000e+01 | 7.360000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 13 | -1.390278900000000e+01 | -1.390278900000000e+01 | 6.950000000000000e-06 | -1.776356839400250e-15 | PASS |
| Eigenvalue 15 | -1.353787400000000e+01 | -1.353787400000000e+01 | 6.770000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 16 | -1.293229800000000e+01 | -1.293229800000000e+01 | 6.470000000000000e-06 | 1.776356839400250e-15 | PASS |
| Eigenvalue 17 | -5.035163000000000e+00 | -5.035163000000001e+00 | 2.520000000000000e-05 | 8.881784197001252e-16 | PASS |
| Eigenvalue 18 | -4.974504000000000e+00 | -4.974504000000000e+00 | 2.490000000000000e-14 | 8.881784197001252e-16 | PASS |
| Eigenvalue 19 | -4.127237000000000e+00 | -4.127237000000000e+00 | 2.060000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 20 | -4.116129000000000e+00 | -4.116129000000000e+00 | 2.060000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sz> 11 | 1.300000000000000e-01 | 1.300000000000000e-01 | 6.500000000000000e-02 | 0.000000000000000e+00 | PASS |
| <Sz> 13 | -1.012000000000000e-01 | -1.012000000000000e-01 | 5.060000000000000e-04 | 0.000000000000000e+00 | PASS |
| <Sz> 15 | 4.557000000000000e-01 | 4.557000000000000e-01 | 2.280000000000000e-03 | 0.000000000000000e+00 | PASS |
| <Sz> 16 | -4.671000000000000e-01 | -4.671000000000000e-01 | 2.340000000000000e-03 | 0.000000000000000e+00 | PASS |
| <Sz> 17 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| <Sz> 18 | -5.000000000000000e-01 | -5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| <Sz> 19 | 4.526000000000000e-01 | 4.526000000000000e-01 | 2.260000000000000e-03 | 0.000000000000000e+00 | PASS |
| <Sz> 20 | 4.675000000000000e-01 | 4.675000000000000e-01 | 2.340000000000000e-03 | 0.000000000000000e+00 | PASS |