​Dear users I want to dope in heusler alloy.For this aim i used supercell program but for that doping it was not required to grow cell in any direction and i replace the elements in cell.Now for this job can i reduce the k-points (for non-doping i used 8000 k-points)? If yes how many k-points will be rational? and can i compare the results with the old one?
thanks in advance.
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html

