Input 03-xc.gga_x_pbe_r.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_r Eigenvalue up -9.720050000000000e-01 -9.720450000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_pbe_r Eigenvalue dn -8.228529999999999e-01 -8.228910000000000e-01 4.180000000000000e-05 3.800000000009351e-05 PASS
gga_x_pbe_r Exchange -3.239833100000000e-01 -3.239870300000000e-01 4.090000000000000e-06 3.719999999984847e-06 PASS
gga_x_pbe_r Int[n*v_xc] -4.083450200000000e-01 -4.083495100000000e-01 4.940000000000000e-06 4.489999999968131e-06 PASS
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