Input 03-xc.gga_c_p86.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
gga_c_p86 Eigenvalue up -5.441990000000000e-01 -5.442365000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_c_p86 Eigenvalue dn -5.976939999999999e-01 -5.977200000000000e-01 2.860000000000000e-05 2.600000000008151e-05 PASS
gga_c_p86 Correlation -1.385526000000000e-02 -1.385534000000000e-02 8.799999999999999e-08 8.000000000125962e-08 PASS
gga_c_p86 Int[n*v_xc] -2.106838000000000e-02 -2.106853500000000e-02 1.700000000000000e-07 1.549999999982121e-07 PASS
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