[Pw_forum] my understanding about ASR

[Paolo Giannozzi]

xwzhang at uestc.edu.cn wrote:

> are there any problem that the slope of the phonon around Gamma is 
> incorrect, because ASR cure the problem of k=0, but what about other 
> points near it? 

for phonons at k/=0, the error due to ASR violation seems to be
usually negligible. I never tried to make calculations with
very small q, though.

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