Hi, Whatever the size of your supercell, its Bravais lattice must be one among the well known 14 (which is it ?), each one possessing a known BZ. The only thing is that with 60 atoms you're going to have many bands.
Regards, Roberto On Thu, 28 Oct 2010, Elie Moujaes wrote: > > Dear All, > > I am working with a supercell of 60 Carbon atoms. I am trying to do scf and > band structure calculations. Is there anything in QE that is used to draw the > Brillouin zone for my supercell as I need to find the coordinates of the > points that are intercepts with the walls of the Brillouin zone or maybe find > coordinates of high symmetry points in the BZ? How can I get such information? > > Regards > > Elie Moujaes > University of Nottingham > BG7 2RD
