Wfn file (Bader format)

Psi4Education
1

Hi everyone!
I’m student and beginner using Psi4. I have a few questions that I hope someone could help me.

  • Can I print the wfn file (Bader format) for HF, MP2, CC, …? Or only the molden file?
  • Can I print the virtual orbitals in the wfn file for SCF methods?

Thank you in advance for your help.

2

Psi4 supports a few different external file formats, but not the QTAIM wfn format you’re describing. We have Molden and also FCHK.