[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

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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