[Pw_forum] QHA frequency is higher than *.freq
giannozz at democritos.it
Fri Nov 18 13:09:35 CET 2011
On Thu, 2011-11-17 at 01:41 +0000, KangYun Song wrote:
> The main problem is the frequency of matdyn.x (asr=crystal)which the
> k-point is from tetra.x
what is tetra.x?
> is very higher the matdyn.x(asr=simple) which the k-point is get it
> from xcrysden. And I calculate other structure is not met this problem.
it is hard to say anything on the basis of such information (or lack of
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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