Subject: Bader charge analysis from Gaussian

From: Andri Arnaldsson <moller.plesset () gmail.com>
Date: Fri, 1 Jul 2005 23:02:11 -0700

Hello fellow CCL-ers,

We have implemented and made freely available a grid based method to 
partition
electron charge density according to Bader. A paper describing the 
method is currently
in press in Computational Materials Science. Now Gaussian Cube files 
and VASP
CHGCAR files can be read. A link to binaries, source code, and examples 
can be found at:
http://theory.cm.utexas.edu/bader/

Questions can be directed to
http://theory.cm.utexas.edu/forum/

Regards,
Andri

-----------------------------------------------------------------
Andri Arnaldsson
Graduate Student
Department of Chemistry, Box 351700
University of Washington
Seattle, WA 98195-1700
Office: Bagley Hall, 311A
Phone: (206)-543-7955
Email: andri<at>u<dot>washington<dot>edu
URL: http://odinn.chem.washington.edu/~andri