Input 03-xc.gga_x_g96.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_x_g96 Eigenvalue up -9.721070000000001e-01 -9.721465000000000e-01 4.340000000000000e-05 3.949999999997011e-05 PASS
gga_x_g96 Eigenvalue dn -8.221320000000000e-01 -8.221695000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_g96 Exchange -3.265456300000000e-01 -3.265492950000000e-01 4.020000000000000e-06 3.665000000041552e-06 PASS
gga_x_g96 Int[n*v_xc] -4.082820500000000e-01 -4.082864750000000e-01 4.850000000000000e-06 4.425000000030099e-06 PASS
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