[Pw_forum] some trouble in Phonon dispersion calculation

[Eyvaz Isaev]

Dear Xiaodong,

Can you please submit the script you used and figure you obtained? If you submit frequency file it will be much easier to fix the problem.

Please also provide your affiliation.

Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Tue, 9/23/08, Wenxiaodong <wenchenai at tom.com> wrote:

> From: Wenxiaodong <wenchenai at tom.com>
> Subject: [Pw_forum] some trouble in Phonon dispersion calculation
> To: "pw_forum" <pw_forum at pwscf.org>
> Date: Tuesday, September 23, 2008, 8:01 AM
> Dear everybody
>   Recently, I did a phonon dispersion calculation using
> PWscf. However, I can not obtain smooth phonon dispersion.
> That is to say, the phonon dispersion looks like zigzag
> shape. For making sure, I tried to use the example 07 (in
> PWscf), while there are same phenomena for phonon
> dispersion. By the way, I used the plotband.x to handle
> data.
>   If you have some experience about this, could you tell me
> the reasons? I will very very appreciate you!
> Best
> Xiaodong
> 
> 
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