[Pw_forum] making a supercell

pari shok parishok at gmail.com
Fri May 6 21:49:02 CEST 2011


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
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