Input 03-xc.gga_x_pbe_sol.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_serial

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_sol Eigenvalue up -9.534570000000000e-01 -9.534170000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_x_pbe_sol Eigenvalue dn -8.021610000000000e-01 -8.021245000000000e-01 4.010000000000000e-05 -3.649999999999487e-05 PASS
gga_x_pbe_sol Exchange -3.026346600000000e-01 -3.026313600000000e-01 3.640000000000000e-06 -3.299999999983871e-06 PASS
gga_x_pbe_sol Int[n*v_xc] -3.892978600000000e-01 -3.892937500000000e-01 4.540000000000000e-06 -4.110000000001612e-06 PASS
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