Re: Bader wfn file

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Posted by Rosie Coates on February 06, 2009 at 15:00:40:

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

Hi Coen,

Would you be able to send me this fortran file?

Many thanks,

Rosie



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