Posted by Coen de Graaf on January 27, 2009 at 09:53:25:
In Reply to: Bader wfn file posted by Peter on January 26, 2009 at 22:18:24:
: Does someone have a file conversion utility to write
: out .wfn files for Bader`s AIM thory and is willing to share it?
Yes, I made one. I can send you the fortran file that generates a WFN file
from the RasOrb file (or any other file containing natural orbitals).
Coen