[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 cannot 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
> > 
> > Please, if possible, don't  send me MS Word or PowerPoint 
> > attachmentsWhy? See:  http://www.gnu.org/philosophy/no-word-
> > 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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---
Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building, 
University of Kent, Canterbury, Kent, 
CT2 7NH
United Kingdom


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