Input 03-xc.gga_x_optx.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_optx Eigenvalue up -9.754010000000000e-01 -9.753615000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_optx Eigenvalue dn -8.255000000000000e-01 -8.254625000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_optx Exchange -3.283290200000000e-01 -3.283253150000000e-01 4.080000000000000e-06 -3.705000000020497e-06 PASS
gga_x_optx Int[n*v_xc] -4.115216200000000e-01 -4.115172800000000e-01 4.760000000000000e-06 -4.339999999991573e-06 PASS
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