Re: [SIESTA-L] Band plotting in supercells

Dear Marcos, Consider a 1D system. Imagine that we have the dispersion plot for a primitive cell for k from 0 to kmax. For a 2x supercell, we have all the same bands, but now we need to squeeze them into a reciprocal cell (not the IBZ, but simply the complete 1st Brillouin zone) half the original

Re: [SIESTA-L] the band structure of graphene

Hi If you have time, it is heuristic to draw reciprocal lattice of hexagonal unit cell. The K point of reciprocal space of hexagonal unit cell, that is also hexagonal, lies in the (1/3, 2/3,0) in the orthorhombic graphene nanoribbon where 2/3 is the direction of ribbon axis. And remember