Input 01-xc_1d.oep_exx.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| OEP EXX Eigenvalue 1 up | -1.087472000000000e+00 | -1.087472000000000e+00 | 5.440000000000000e-06 | 0.000000000000000e+00 | PASS |
| OEP EXX Eigenvalue 2 up | -2.571410000000000e-01 | -2.571410000000000e-01 | 1.290000000000000e-05 | 0.000000000000000e+00 | PASS |
| OEP EXX Eigenvalue 1 dn | -9.577610000000000e-01 | -9.577610000000000e-01 | 4.790000000000000e-05 | 0.000000000000000e+00 | PASS |
| OEP EXX Eigenvalue 2 dn | -3.085220000000000e-01 | -3.085220000000000e-01 | 1.540000000000000e-05 | 0.000000000000000e+00 | PASS |
| OEP Exact Exchange | -1.056063310000000e+00 | -1.056063310000000e+00 | 1.060000000000000e-14 | -2.220446049250313e-16 | PASS |
| OEP EXX Int[n*v_xc] | -1.923924730000000e+00 | -1.923924730000000e+00 | 9.620000000000000e-08 | 0.000000000000000e+00 | PASS |