[Pw_forum] nearest neighbor test

[Winfred Mulwa]

Dear all,
I am doing a 5% doping of TiO2 with Cr in a 72 atom cell.
please some body to explain to me how i can contact the
nearest neighbor test in order to get the best substitution site
please.
Regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150306/0019d651/attachment.html>