Bader charge analysis from Gaussian



 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
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 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