Re: Bader wfn file


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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


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