Convergence: use as many as necessary to make the difference unimportant for you. SB
-- Stefano Baroni, Trieste -- swift message written and sent on the go On 23/feb/2012, at 13:47, Divya Srivastava <divyasrivastava at jncasr.ac.in> wrote: > I am getting slightly different shape of the phonon density of states by > selecting different K-points and nq's points in ph.x input file. > Can any body tell me what is the criteria of selecting k-points and nq's > point. > > Divya Srivastava > Research Associate > TSU, JNCASR > Jakkur, Bangalore-64 > Tel: 080-2208-2834 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
