[Pw_forum] Ph.x code help

[Vincenzo Verdolino]

Dear,


just make sure you

cp -r -f SIPH.save /nfs/11/osu7834/

sometimes it happens that your outir in the scf calculation is not the same
specified in your ph.x calculation

could you also paste the scf.in job file?

thanks

vincenzo


On Mon, Aug 25, 2014 at 10:07 PM, Samin, Adib J. <
samin.2 at buckeyemail.osu.edu> wrote:

>  Dear Quantum Espresso users,
>
>
>  I am trying to run the ph.x executable using a simple silicon example
> which I found online. I first perform the scf calculation and save the
> results and then use the same outdirectory and prefix when running the ph.x
> code. However, I keep getting the same error which says:
>
> 'Error in routine image_q_irr (1):
>
>   some images have no rapp'
>
> I have attached the ph input file.
>
> I would really appreciate it if someone can help explain to me why this is
> happening.
>
>
>  Phonons of Si at Gamma
>  &inputph
>   tr2_ph=1.0d-14,
>   amass(1)=28.0855,
>   prefix='SIPH',
>   outdir='/nfs/11/osu7834/'
>   fildyn='si.dynG',
>  /
>  0.0 0.0 0.0
>
>
>
>      Thanks,
>
> Adib Samin
>
>
>
>
> Adib Samin
>
> Postdoc
>
> The Department of Aerospace and Mechanical Engineering
>
> The Ohio State University
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140826/5efbb10a/attachment.html>