Input 03-xc.gga_c_p86.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
gga_c_p86 Eigenvalue up -5.442740000000000e-01 -5.442365000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_c_p86 Eigenvalue dn -5.977460000000000e-01 -5.977200000000000e-01 2.860000000000000e-05 -2.599999999997049e-05 PASS
gga_c_p86 Correlation -1.385542000000000e-02 -1.385534000000000e-02 8.799999999999999e-08 -7.999999999952490e-08 PASS
gga_c_p86 Int[n*v_xc] -2.106869000000000e-02 -2.106853500000000e-02 1.700000000000000e-07 -1.550000000016816e-07 PASS
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