Posted by Xiaoge Su on June 29, 2011 at 22:07:09:
In Reply to: Re: Bader wfn file posted by Coen de Graaf on January 27, 2009 at 09:53:25:
: : 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
Hello,
May I have a copy of this fortran code?
Many thanks!
Xiaoge