[Pw_forum] strange results in phonon calculation

Eyvaz Isaev eyvaz_isaev at yahoo.com
Tue Apr 7 12:21:36 CEST 2009


Dear Reza,

No one is able to tell you exactly, why you got "banana" until you post your input files. At least, check your structure and see pressure in output file. 

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, 4/7/09, Reza Ebraahimi <rezaebraahimi at yahoo.com> wrote:

> From: Reza Ebraahimi <rezaebraahimi at yahoo.com>
> Subject: [Pw_forum] strange results in  phonon calculation
> To: pw_forum at pwscf.org
> Date: Tuesday, April 7, 2009, 2:00 PM
> Hi
> Trying to run phonon calculation at Gamma point for my
> case, the code gives the following result for some of the
> modes:      
> 
>      omega( 1) =*************** [THz] =***************
> [cm-1]
>      omega( 2) =*************** [THz] =***************
> [cm-1]
>      omega( 3) =*************** [THz] =***************
> [cm-1]
> 
> What does these mean? How should i fix this?
> Thanx
> Reza Ebraahimi - Graduate student
> Tehran University
> 
> 
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