Hello,
we were wondering if there is a way to extract two-electron integrals using Kohn-Sham orbitals. For example, is it possible to run a HF or CIS calculation but inputting KS orbitals and outputting the two-electron integrals before the SCF cycles begin?
I could not find a way to do it in the documentation or from searching the forum.
Thank you.
Best,
Davood