Input 03-xc.gga_xc_pbe1w.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_pbe1w Eigenvalue up | -9.677390000000000e-01 | -9.897790000000000e-01 | 4.400000000000000e-05 | 2.203999999999995e-02 | FAIL |
| gga_xc_pbe1w Eigenvalue dn | 8.055387000000000e+00 | -8.640200000000000e-01 | 4.180000000000000e-05 | 8.919407000000000e+00 | FAIL |
| gga_xc_pbe1w Correlation | 0.000000000000000e+00 | -3.376165050000000e-01 | 4.160000000000000e-06 | 3.376165050000000e-01 | FAIL |
| gga_xc_pbe1w Int[n*v_xc] | 0.000000000000000e+00 | -4.307628100000000e-01 | 5.130000000000000e-06 | 4.307628100000000e-01 | FAIL |