Input 03-xc.gga_xc_pbelyp1w.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_pbelyp1w Eigenvalue up | -9.863340000000000e-01 | -9.863740000000001e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_xc_pbelyp1w Eigenvalue dn | -8.638370000000000e-01 | -8.638749999999999e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_xc_pbelyp1w Correlation | -3.347714900000000e-01 | -3.347752450000000e-01 | 4.110000000000000e-06 | 3.754999999994180e-06 | PASS |
| gga_xc_pbelyp1w Int[n*v_xc] | -4.280046400000000e-01 | -4.280093950000000e-01 | 5.210000000000000e-06 | 4.755000000022935e-06 | PASS |