?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 > > > ----------------------------------------------------------- > > > > > > _______________________________________________ > > > Pw_forum mailing list > > > 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 pens?e - 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 > > > > > > > > > > > > > > --- Pieremanuele Canepa Room 230 School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090424/96a294d3/attachment-0001.htm
