Dear Muthu Plz follow the following link: http://qe-forge.org/pipermail/pw_forum/2009-April/087059.html there is plenty ways to create supercell.
bests sanjeev On Tue, Jan 21, 2014 at 5:27 PM, Muthu V <muthu.physicsmath at gmail.com>wrote: > Dear QE users > > i want to create supercell of Si and iO2 from their unitcell. i searched > and there are some topics on this issue in this forum > > *Tone Kokalj* tone.kokalj at ijs.si > <xcrysden%40democritos.it?Subject=%5Bxcrysden%5D%20simple%20question%20about%20building%20supercells&In-Reply-To=20120316204519.M14952%40proto.fisica.ufmg.br> > *Wed Mar 21 11:24:27 CET 2012* > > nut it still not working for both Si and TiO2. can anyone help in this > regard. ie how to get atomic coordinates of super cell build using xcrysden. > > thank you > > *_________________________ * > > > > *Muthu.V Madurai Kamaraj University __________________________* > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- With Best Regards, ------------------------------------ Dr. Sanjeev Kumar Gupta Fulbright Post-Doctoral Scholar Dept. of Physics Michigan Technological University 1400 Townsend Drive, Houghton MI 49931, USA ------------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140121/49b26ed5/attachment.html
