Input 03-xc.gga_xc_pbelyp1w.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_pbelyp1w Eigenvalue up | -9.864140000000000e-01 | -9.863740000000001e-01 | 4.400000000000000e-05 | -3.999999999992898e-05 | PASS |
| gga_xc_pbelyp1w Eigenvalue dn | -8.639130000000000e-01 | -8.638749999999999e-01 | 4.180000000000000e-05 | -3.800000000009351e-05 | PASS |
| gga_xc_pbelyp1w Correlation | -3.347789900000000e-01 | -3.347752450000000e-01 | 4.110000000000000e-06 | -3.744999999999443e-06 | PASS |
| gga_xc_pbelyp1w Int[n*v_xc] | -4.280141300000000e-01 | -4.280093950000000e-01 | 5.210000000000000e-06 | -4.734999999977951e-06 | PASS |