4x4x4 Comment 0 0 = automatic generation of k-points Monkhorst M use Monkhorst Pack 4 4 4 grid 4x4x4 0 0 0 shift (usually 0 0 0) Example file 4 Cartesian 0.0 0.0 0.0 1. 0.0 0.0 0.5 1. 0.0 0.5 0.5 2. 0.5 0.5 0.5 4. Tetrahedra 1 0.183333333333333 6 1 2 3 4 k-points along high symmetry lines 10 ! 10 intersections Line-mode cart 0 0 0 ! gamma 0 0 1 ! X 0 0 1 ! X 0.5 0 1 ! W 0.5 0 1 ! W 0 0 1 ! gamma