[Pw_forum] making a supercell
parishok at gmail.com
Fri May 6 21:49:02 CEST 2011
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
- 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
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