[Pw_forum] error

[Eyvaz Isaev]

Hi, 

It is clear from the message that you use only Gamma point technique for SCF, and then try calculate phonons.

Instead of "K_POINTS Gamma" you can use "K_POINTS automatic" and dividing numbers with shifts. This allows you to avoid the message you obtained, even you use 1 1 1 0 0 0 which gives only Gamma point again,

Please provide your affiliation as it is accepted in this forum by default.

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 Sat, 8/16/08, zahra sadat naghavi <szs_naghavi at yahoo.com> wrote:

> From: zahra sadat naghavi <szs_naghavi at yahoo.com>
> Subject: [Pw_forum] error
> To: Pw_forum at pwscf.org
> Date: Saturday, August 16, 2008, 8:53 PM
> dear all !
> what is this error in ph.x?
>    from phq_readin : error #         1
>      cannot start from pw.x data file using Gamma-point
> tricks
> 
> 
> 
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