Check the Voronoi and Hirshfeld SIESTA flags in the 3.2 manual, they give a numeric value for the charge around every atom in your system.
Sherif Tawfik University of Sydney On 14/08/2014 7:52 pm, "Suman Chowdhury" <[email protected]> wrote: > Dear siesta user, > How I can estimate the charge transfer from atom to atom from SIESTA? > > -- > > > > *Junior research fellow Dept. of Physics, University of Calcutta Kolkata- > 700009, West Bengal, India.* > * Ph no-+91-9830512232* > >
