Input 03-xc.gga_xc_hcth_407.inp

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

Matches

Name Value Reference Precision Difference Status
gga_xc_hcth_407 Eigenvalue up -9.731840000000000e-01 -9.975035000000000e-01 4.340000000000000e-05 2.431949999999994e-02 FAIL
gga_xc_hcth_407 Eigenvalue dn -5.351890000000000e-01 -8.777904999999999e-01 4.350000000000000e-05 3.426014999999999e-01 FAIL
gga_xc_hcth_407 Correlation 0.000000000000000e+00 -3.465708850000000e-01 4.210000000000000e-06 3.465708850000000e-01 FAIL
gga_xc_hcth_407 Int[n*v_xc] 0.000000000000000e+00 -4.396959650000000e-01 5.190000000000000e-06 4.396959650000000e-01 FAIL
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