On 04/06/05 15:45:36, Aritz Leonardo wrote: > I am going nuts trying to define a honeycomb structure in pwscf. > > Can anybody help me?? Honeycomb structure has a hexagonal cell (ibrav=4) with two atoms in it at Cartesian coordinates (alat units): (0, sqrt(3)/6), (1/2, sqrt(3)/2). Gerardo