Input 03-xc.gga_c_pw91.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
gga_c_pw91 Eigenvalue up -5.469370000000000e-01 -5.468995000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_c_pw91 Eigenvalue dn -5.909630000000000e-01 -5.909370000000000e-01 2.860000000000000e-05 -2.599999999997049e-05 PASS
gga_c_pw91 Correlation -1.535906000000000e-02 -1.535891500000000e-02 1.600000000000000e-07 -1.450000000000062e-07 PASS
gga_c_pw91 Int[n*v_xc] -2.184233000000000e-02 -2.184213000000000e-02 2.200000000000000e-07 -1.999999999988122e-07 PASS
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