I usually just write a small code to generate supercells. Knowing the primitive lattice vectors and basis atoms (2 for graphene), it is very easy to write a small code that can be used to generate a NxN supercell. You can then also visualize in XCrysden to make sure that you have generated the structure correctly.
You can use XCrysden to get the k-point path as well. Just remember that the k-point path obtained from XCrysden is in crystal units. Sridhar On Thu, May 29, 2014 at 5:01 AM, siddheshwar chopra <sidhusai at gmail.com>wrote: > Dear users, > Somebody please help me in making my first i/p file in QE for graphene. I > want to find band gap of a 4x4x1 supercell of graphene.. > Also how do we find k point path? Please help... > > Regards, > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140529/2a9ab218/attachment.html
