Input 03-xc.gga_xc_pbelyp1w.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run foss_cuda_mpi_omp_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 -3.347715100000000e-01 -3.347752450000000e-01 4.110000000000000e-06 3.735000000004707e-06 PASS
gga_xc_pbelyp1w Int[n*v_xc] -4.280046600000000e-01 -4.280093950000000e-01 5.210000000000000e-06 4.735000000033462e-06 PASS
Compare to other inputs