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.VMadurai Kamaraj University__________________________* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140122/49ac9043/attachment.html
