Hello, I am using QE (obviously) and xcrysden. I am making the supercells just by:
- making the unit cell - using xcrysden to modify the small cell by doubling it in different directions - finding the atom positions one by one - making supecell by entering those atomic positions into a new lattice to give exactly the thing that I made with xcrysden. I was wondering whether there is a simple way to double the unit cell in different directions. Thank you P Shok -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110506/4a25c557/attachment.htm
