Input 03-xc.gga_x_pw86.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pw86 Eigenvalue up | -9.730750000000000e-01 | -9.731150000000000e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_x_pw86 Eigenvalue dn | -8.214380000000000e-01 | -8.214764999999999e-01 | 4.230000000000000e-05 | 3.849999999994136e-05 | PASS |
| gga_x_pw86 Exchange | -3.223392300000000e-01 | -3.223429850000000e-01 | 4.130000000000000e-06 | 3.755000000049691e-06 | PASS |
| gga_x_pw86 Int[n*v_xc] | -4.089180300000000e-01 | -4.089226650000000e-01 | 5.100000000000000e-06 | 4.634999999975076e-06 | PASS |