Input 03-xc.pbe0_oep.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| PBE0 OEP Eigenvalue up | -8.799180000000000e-01 | -1.024722000000000e+00 | 3.410000000000000e-05 | 1.448040000000002e-01 | FAIL |
| PBE0 OEP Eigenvalue dn | 1.110184300000000e+01 | -8.208640000000000e-01 | 3.850000000000000e-05 | 1.192270700000000e+01 | FAIL |
| PBE0 OEP Exchange | 0.000000000000000e+00 | -6.322018000000000e-02 | 3.670000000000000e-06 | 6.322018000000000e-02 | FAIL |
| PBE0 OEP Correlation | 0.000000000000000e+00 | -2.521371850000000e-01 | 3.100000000000000e-06 | 2.521371850000000e-01 | FAIL |
| PBE0 OEP Int[n*v_xc] | 0.000000000000000e+00 | -4.500860700000000e-01 | 3.510000000000000e-06 | 4.500860700000000e-01 | FAIL |
| PBE0 OEP Total | 2.213631610000000e+00 | -5.171654900000000e-01 | 2.010000000000000e-05 | 2.730797100000000e+00 | FAIL |