999 (K-points by direction) 6 (Number of directions) 40 0 0 0 0 0.5 0.5 (Gamma -> Delta -> X) 20 0 0.5 0.5 0.25 0.5 0.75 (X -> Z -> W) 40 0.25 0.5 0.75 0.5 0.5 0.5 (W -> Q -> L) 40 0.5 0.5 0.5 0 0 0 (L -> Lambda -> Gamma) 60 0 0 0 0.5 0.5 1.0 (Gamma -> Sigma -> K(U) -> S -> X) 40 0.375 0.375 0.75 0.5 0.5 0.5 (K -> L) # # This file, when incorporated into the LAPW or Tight-binding code # (without these comments), allows the program to calculate # eigenvalues along the specified directions. The order format is # # 999 (i5) --> read in k-points by direction # 6 (i5) --> six directions # Succeeding lines contain # The number of points, including both ends # The first point of the line, in reciprocal lattice coordinates # The final point of the line, in reciprocal lattice coordinates # An optional label # # Each of these lines is written in free format. # Note that the file above generates 240 k-points # # Note that the energy found using these k-points will be strange, # since this mesh does not span the Brillouin zone. However, this # mesh is ideal for plotting the electronic structure of the # high-symmetry directions of an fcc crystal. # # -- mjm 6 March 1998 #