Input 03-xc.gga_x_pbea.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
gga_x_pbea Eigenvalue up -9.647470000000000e-01 -9.647865000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_pbea Eigenvalue dn -8.112549999999999e-01 -8.112925000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_pbea Exchange -3.120081300000000e-01 -3.120116200000000e-01 3.840000000000000e-06 3.489999999994886e-06 PASS
gga_x_pbea Int[n*v_xc] -4.002185900000000e-01 -4.002229500000000e-01 4.800000000000000e-06 4.359999999981046e-06 PASS
Compare to other inputs