In order to form PDMs you need to T- and Lambda-amplitudes, which are written to disk, not saved to wfn. Hence, you cannot get them from returning wfn. However, if you disable psi.clean() function you may try to read them in from the DFOCC files. @joshrackers
I’ll warn you that to get the same density matrix as from gradient theory, at the very least, you would also need to solve the orbital Z-vector equations. An unrelaxed density matrix might be doable, though.
Anyways, this topic seems answered now. It’s good practice to mark a post as “solving” the topic when it’s answered, so that way we know there’s nothing else we need to do here. There should be a checkbox on each post to mark it as “solving” the topic.