[Pw_forum] why the ASR change the mode in the high frequency ?

[xu yuehua]

i try the asr='simple', and the high frequency is almost the same with the
situation not add asr.
my system is   quai-one-dimen , like nanotube ,why i can not add "one-dimen"

2008/10/23 Paolo Giannozzi <giannozz at democritos.it>

> xu yuehua wrote:
>
> > yes, my system shoule have 3 translation and 1 rotational mode
> > so i add ASR="one-dim.
>
> then try ASR='simple'. If they differ, and if your system is
> along one of the cartesian axis, please provide the dynamical
> matrix
>
> Paolo
> --
>  Paolo Giannozzi, Democritos and University of Udine, Italy
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-- 
Xu Yuehua
physics Department of Nanjing university
China
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