Dear Paolo Giannozzi For a cp simulation, is a unit cell enough or I have to consider a supercell? Kind regards Ashkan Shekaari Tell: +98 933 459 7122; +98 921 346 7384 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150731/5b21bb62/attachment.html>