Input 03-xc.pbe0_oep.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| PBE0 OEP Eigenvalue up | -1.024753000000000e+00 | -1.024722000000000e+00 | 3.410000000000000e-05 | -3.099999999989222e-05 | PASS |
| PBE0 OEP Eigenvalue dn | -8.208990000000000e-01 | -8.208640000000000e-01 | 3.850000000000000e-05 | -3.500000000000725e-05 | PASS |
| PBE0 OEP Exchange | -6.321684000000000e-02 | -6.322018000000000e-02 | 3.670000000000000e-06 | 3.340000000004451e-06 | PASS |
| PBE0 OEP Correlation | -2.521400000000000e-01 | -2.521371850000000e-01 | 3.100000000000000e-06 | -2.814999999989354e-06 | PASS |
| PBE0 OEP Int[n*v_xc] | -4.500828800000000e-01 | -4.500860700000000e-01 | 3.510000000000000e-06 | 3.189999999986259e-06 | PASS |
| PBE0 OEP Total | -5.171837700000000e-01 | -5.171654900000000e-01 | 2.010000000000000e-05 | -1.828000000003716e-05 | PASS |