Input 03-xc.gga_c_lyp.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
gga_c_lyp Eigenvalue up -5.414600000000001e-01 -5.414225000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_c_lyp Eigenvalue dn -5.890700000000000e-01 -5.890445000000000e-01 2.810000000000000e-05 -2.550000000001162e-05 PASS
gga_c_lyp Correlation -1.069982000000000e-02 -1.069975500000000e-02 7.150000000000000e-08 -6.500000000048134e-08 PASS
gga_c_lyp Int[n*v_xc] -1.708275000000000e-02 -1.708247500000000e-02 3.030000000000000e-07 -2.750000000009689e-07 PASS
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