[Pw_forum] Hirshfeld charges

[Paolo Giannozzi]

Leonardo Matheus wrote:

> My group is interested in calculating the Hirshfeld charges 

you may want to check whether a code calculating these quantities
already exists and whether it is possible to write an interface
from QE to such a code. There is for instance one here:
   http://mac.softpedia.com/get/Math-Scientific/Hirshfeld.shtml
Not sure what the "Guaussian fchk file" required in input
should contain, though.

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy