Here is a slightly modified version to deal with supercells. It also includes two sed lines to replace Z values for Zn and O, change as is needed Payam.
Best regards, Peter. --- Peter Dunne IFW Dresden, On 27 January 2012 12:28, Tone Kokalj <tone.kokalj at ijs.si> wrote: > On Wed, 2012-01-25 at 18:54 -0600, Payam Norouzzadeh wrote: > > Hello QE users > > Is there any way,software,.. to convert xsf file formats(readable by > > Xcrysden) to input file for PWSCF( just crystal structure and atom > > coordinates)? > > I noticed I have a shell script that does the job. Regards, Tone > > -- > Anton Kokalj > J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia > (tel: +386-1-477-3523 // fax:+386-1-477-3822) > > Please, if possible, avoid sending me Word or PowerPoint attachments. > See: http://www.gnu.org/philosophy/no-word-attachments.html > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120201/a7b308a2/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: xsf2pwi.sh Type: application/x-sh Size: 1239 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120201/a7b308a2/attachment.sh
