Input 01-xc_1d.fbe_x.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 9.620000000000000e-08 | 0.000000000000000e+00 | PASS |
| FBE X Eigenvalue 1 up | -1.081633000000000e+00 | -1.081629500000000e+00 | 9.350000000000000e-06 | -3.500000000045134e-06 | PASS |
| FBE X Eigenvalue 2 up | -2.792210000000000e-01 | -2.792205000000000e-01 | 6.050000000000000e-06 | -5.000000000143778e-07 | PASS |
| FBE X Eigenvalue 1 dn | -9.316050000000000e-01 | -9.316070000000000e-01 | 4.660000000000000e-05 | 1.999999999946489e-06 | PASS |
| FBE X Eigenvalue 2 dn | -2.899800000000000e-01 | -2.899820000000000e-01 | 1.450000000000000e-05 | 2.000000000002000e-06 | PASS |
| FBE X Exchange | -1.065171750000000e+00 | -1.065171960000000e+00 | 1.170000000000000e-06 | 2.100000000559987e-07 | PASS |
| FBE X Int[n*v_xc] | -1.905912650000000e+00 | -1.905913240000000e+00 | 2.760000000000000e-06 | 5.899999999670058e-07 | PASS |