Input 03-xc.gga_c_p86.inp

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

Matches

Name Value Reference Precision Difference Status
gga_c_p86 Eigenvalue up -6.259850000000000e-01 -5.442365000000000e-01 4.130000000000000e-05 -8.174850000000000e-02 FAIL
gga_c_p86 Eigenvalue dn -5.735820000000000e-01 -5.977200000000000e-01 2.860000000000000e-05 2.413799999999999e-02 FAIL
gga_c_p86 Correlation 0.000000000000000e+00 -1.385534000000000e-02 8.799999999999999e-08 1.385534000000000e-02 FAIL
gga_c_p86 Int[n*v_xc] 0.000000000000000e+00 -2.106853500000000e-02 1.700000000000000e-07 2.106853500000000e-02 FAIL
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