[Pw_forum] phonon dispersion for graphene

[Ngoc Linh Nguyen]

Your input file lacks the points where you want to calculate phonon 
dispersion (Gamma, X, ...)
So, you should see in example02 for reference of phonon input file

Good luck
Linh

Elie Moujaes wrote:
> Sear PWSCF users,
>  
> I am calculating the phonon dispersion for graphene. I did the scf 
> calculations then when I am running the ph.x command, I always get the 
> error:
>  
>  
>
>      Program PHONON    v.4.1.2  starts ...
>      Today is 31Mar2010 at 12: 1:50
>
>      Ultrasoft (Vanderbilt) Pseudopotentials
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from phq_readin : error #         1
>      reading inputph namelist
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>  
>
>  
>
> which means that something is wrong in the input. But I could not fins 
> any mistake in the input file...Can anyone please check it for me? My 
> input is:
>
>  
>
>  
>
>  
>
> &inputph
>
>   tr2_ph=1.0d-14,
>
>   prefix='ph mono graphene',
>
>   ldisp=.true.,
>
>   nq1=28, nq2=28, nq3=1,
>
>   amass(1)=12.00000,
>
>   outdir='/tmp/results_MOUJAES/',
>
>   fildyn='phmgraphene.dyn'
>
> /
>
>  
>
> Thanks
>
>  
>
> Elie Moujaes
>
> University of Nottingham
>
> NG7 2RD
>
> UK
>
>  
>
>  
>
>
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 Nguyen Ngoc Linh, PhD Student
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