Input 08-spin_orbit_coupling_full.02-rkb.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Eigenvalue 1 | -2.732888100000000e+01 | -2.732888100000000e+01 | 1.370000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -2.643841900000000e+01 | -2.643841900000000e+01 | 1.320000000000000e-05 | 3.552713678800501e-15 | PASS |
| Eigenvalue 5 | -1.712713000000000e+01 | -1.712713000000000e+01 | 8.559999999999999e-05 | -3.552713678800501e-15 | PASS |
| Eigenvalue 7 | -1.577903500000000e+01 | -1.577903500000000e+01 | 7.890000000000001e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 9 | -1.471321900000000e+01 | -1.471321900000000e+01 | 7.360000000000000e-06 | -1.776356839400250e-15 | PASS |
| Eigenvalue 11 | -1.471055700000000e+01 | -1.471055700000000e+01 | 7.360000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 13 | -1.390279000000000e+01 | -1.390279000000000e+01 | 6.950000000000000e-05 | 1.776356839400250e-15 | PASS |
| Eigenvalue 15 | -1.353787500000000e+01 | -1.353787500000000e+01 | 6.770000000000000e-06 | 0.000000000000000e+00 | PASS |
| <Sz> 1 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| <Sz> 3 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| <Sz> 5 | 4.713000000000000e-01 | 4.713000000000000e-01 | 2.360000000000000e-03 | 0.000000000000000e+00 | PASS |
| <Sz> 7 | 1.288000000000000e-01 | 1.288000000000000e-01 | 6.440000000000000e-04 | 0.000000000000000e+00 | PASS |
| <Sz> 9 | -8.470000000000000e-02 | -8.470000000000000e-02 | 4.240000000000000e-03 | 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 |
| Force | -6.681339680000000e-01 | -6.681339680000000e-01 | 3.340000000000000e-08 | 0.000000000000000e+00 | PASS |