[Pw_forum] question about PDOS
Igor Pasti
igor at ffh.bg.ac.yu
Wed Nov 19 10:08:42 CET 2008
Dear QE users,
I am dealing with PDOS of some binary alloys using projwfc.x. I am wondering if
there is some cut off radius for projection around atom of interest in order to
reduce PDOS contribution form neighboring atoms (as there is no such parameter
in the input file) or this radius can be considered to be infinite. I know that
some ab initio codes use value of 2 a.u. around atom of interest.
Thank you very much,
Igor
--
Igor Pasti, PhD student, Faculty of Physical Chemistry, Belgrade University
Studentski trg 12, Belgrade
More information about the Pw_forum
mailing list