[Pw_forum] wrong total_weight error with matdyn
Paolo Giannozzi
giannozz at democritos.it
Tue Sep 11 17:20:25 CEST 2012
On Tue, 2012-09-11 at 15:22 +0200, Thomas Gruber wrote:
> Can someone give me a hint how to calculate my phonon
> frequencies with acoustic sum rule?
just heard a suggestion: since you have just one phonon
wave-vector, you can use dynmat.x instead of q2r.x+matdyn.x
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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