[Pw_forum] problem with dielectric constant evaluation through saw tooth potential

Paolo Giannozzi giannozz at democritos.it
Wed Nov 14 15:11:56 CET 2012


On Wed, 2012-11-14 at 09:00 +0100, jacky even wrote:

> trying to use a saw potential to evaluate local potential or induced
> density in a Si slab yields converged but unphysical results.

...that is? what is wrong with your results, and what makes you
think that it is a problem in QE?

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





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