Dear Steve,

Thanks for such quick answer.

I flipped alpha and beta because it does matter.

As far as I understand, rho notation is following:

first symbol means “source” atom type, next one is “target” atom type, isn’t it?

Like rho_H_Fe means induced electron density by H-atom to Fe-atom.

And so, for embedding function I must use F with the second symbol (“target” atom type).

In my example it is F_Fe.

This is my confusion.

Thanks,