Input 03-xc.gga_c_pbe_sol.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_c_pbe_sol Eigenvalue up -6.295269999999999e-01 -5.489645000000001e-01 4.120000000000000e-05 -8.056249999999987e-02 FAIL
gga_c_pbe_sol Eigenvalue dn 1.135464400000000e+01 -5.958350000000000e-01 2.860000000000000e-05 1.195047900000000e+01 FAIL
gga_c_pbe_sol Correlation 0.000000000000000e+00 -1.754537500000000e-02 1.700000000000000e-07 1.754537500000000e-02 FAIL
gga_c_pbe_sol Int[n*v_xc] 0.000000000000000e+00 -2.447345500000000e-02 2.360000000000000e-07 2.447345500000000e-02 FAIL
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