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

Stefano Baroni baroni at sissa.it
Fri Apr 24 16:31:27 CEST 2009


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
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---
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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