[Pw_forum] missing q-points

[Eyvaz Isaev]

Dear Mehrnaz,

The problem is not related to FFTW libraries, it is rather a symmetry problem.

Check k-points with the same nq1,nq2, and nq3 (and the same symmetry) with k_points.x.

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, 6/6/09, Mehrnaz Anvari <anvari_meh at physics.iust.ac.ir> wrote:

> From: Mehrnaz Anvari <anvari_meh at physics.iust.ac.ir>
> Subject: [Pw_forum] missing q-points
> To: pw_forum at pwscf.org
> Date: Saturday, June 6, 2009, 4:15 PM
> 
> 
> 
> 
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>  
> 	
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> 
> 
> Dear
> all
> I
> tried to
> calculate phonon dispersion for graphene in uniform grid
> (nq1=2,
> nq2=2, nq3=1). In graphene .dyn0 file exist two points, but
> after
> nscf calculations & phonon performance the code
> couldn't find
> same q-points so in q2r.x I have this error  
> 
> from
> init :
> error #         1
> 
> missing
> q-point(s)!
> I
> checked
> archive & I saw maybe the problem is due to fftw so I
> install
> fftw 3.1.2, but yet I have the problem .what can I
> do?
> Mehrnaz
> Iran
> University
> Of Science & Technology
> 
> 
> 
> 
> 
> -----Inline Attachment Follows-----
> 
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