Input 03-xc.gga_x_g96.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
gga_x_g96 Eigenvalue up -9.721860000000000e-01 -9.721465000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_g96 Eigenvalue dn -8.222070000000000e-01 -8.221695000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_g96 Exchange -3.265529500000000e-01 -3.265492950000000e-01 4.020000000000000e-06 -3.654999999991304e-06 PASS
gga_x_g96 Int[n*v_xc] -4.082908800000000e-01 -4.082864750000000e-01 4.850000000000000e-06 -4.404999999985115e-06 PASS
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