[Pw_forum] (no subject)
baroni at sissa.it
Fri Feb 24 01:49:21 CET 2012
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
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