[Pw_forum] how can I create a supercell in PWSCF?

[pc229 at kent.ac.uk]

It doesn't. Xcrysden let me only visualize the output structure without manipulate it. I can  create the supercell using the command unit repetition but  I can export the final structure. Should I do it by hand? 
Best Regards, Piero

Nobody knows any shortcut to avoid to write it by hand?

----- Original Message -----
From: Stefano Baroni <baroni at sissa.it>
Date: Friday, April 24, 2009 4:31 pm
Subject: Re: [Pw_forum] how can I create a supercell in PWSCF?
To: PWSCF Forum <pw_forum at pwscf.org>

> xcrysden?
> SB
> 
> On Apr 24, 2009, at 3:55 PM, Pieremanuele Canepa wrote:
> 
> > Dear all,
> > does exist a script or a  small program  in Quantum 
> espresso that  
> > allow me to  create a suitable supercell (for instance 
> 2x2x1)  
> > starting from a primitive cell of PWSCF?
> > Best regards, Piero
> >
> > -- 
> > Pieremanuele Canepa
> > Room 230
> > School of Physical Sciences, Ingram Building,
> > University of Kent, Canterbury, Kent,
> > CT2 7NH
> > United Kingdom
> > -----------------------------------------------------------
> >
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> 
> ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National 
> Simulation Center -  
> Trieste
> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) 
> /  
> stefanobaroni (skype)
> 
> La morale est une logique de l'action comme la logique est une 
> morale  
> de la pensée - Jean Piaget
> 
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> attachments.html
> 
> 
> 
> 
> 
> 
> 

---
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building, 
University of Kent, Canterbury, Kent, 
CT2 7NH
United Kingdom













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