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?<[email protected]> 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090424/07b151cf/attachment.htm
