[Pw_forum] the problem about phonon band calculation

[Paolo Giannozzi]

On Tue, 2013-05-21 at 10:29 +0800, 李晓川 wrote:

> Why no answers??

maybe because your questions are either too generic or too confused 
or written in too bad English? and nobody has time to waste answering
ill-posed questions?

P.

> At 2013-05-18 22:04:41,"李晓川" <18733462676 at 163.com> wrote:
>         Dear all,
>                 When I calculate the phonon band,there are some
>         questions ,I want some help fro yours,
>         The questions are followed as bellow,
>         1,Before the phonon calculation , must  the lattice
>         parameters  be relaxed ? Can I use the  crystal parameters
>         fully relaxed by other software,e.g ,CASTEP code? or the
>         lattice parameter of experimental?
>         2.I want to know whether the frequency at gamma is hard to
>         calculate to be preferable(ideal)?
>         3.What are the common questions about phonon band calculation?
>         Finally,I am looking forward to the calculational experience
>         from you to get the ideal phonon band plot.e,g,the setting of
>         parameter in code,
>         Thank you very much ,
>         best wishes.
> 
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222