[Pw_forum] wrong total_weight error with matdyn
Paolo Giannozzi
giannozz at democritos.it
Thu Sep 13 10:29:59 CEST 2012
On Wed, 2012-09-12 at 15:33 +0200, Thomas Gruber wrote:
> I found it somehow strange to "exclude" the weight test
you shouldn't exclude the test: if the weight is not correct,
the results will also be not correct. Apparently the algorithm
doesn't work well when you have force constants only in the unit
cell (your case, since you have just one phonon wave vector).
Not sure why
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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