Problem with the Vxc matrix


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Yes, you are right, xc_getv.F does those two things. That is why I have printed g_truevxc and not g_vxc.
The problem does not seem related to the addition of the Coulomb bit but rather a unitary transformation which I have not found yet. I tried with your suggestions, and things did not change (except for some convergence issues of the auxiliary basis).