title = '3-dimensional diamond dipole lattice (choice 2)' dimension = 3 L = 48 48 48 # conventional unit cell is 4/sqrt(3) * 4/sqrt(3) * 4/sqrt(3) prim1 = 0.0 1.15470053837925 1.15470053837925 prim2 = 1.15470053837925 0.0 1.15470053837925 prim3 = 1.15470053837925 1.15470053837925 0.0 atom = 0.125 0.125 0.125 1.0 1.0 atom = -0.125 -0.125 -0.125 1.0 1.0 k-point = '{/Symbol G}' 0.000 0.000 0.000 axis = '{/Symbol D}' 24 k-point = 'X' 0.000 0.500 0.500 axis = 'Z' 12 k-point = 'W' 0.250 0.500 0.750 axis = 'Q' 12 k-point = 'L' 0.500 0.500 0.500 axis = '{/Symbol L}' 24 k-point = '{/Symbol G}' 0.000 0.000 0.000 axis = '{/Symbol S}' 18 k-point = 'K' 0.375 0.375 0.750 axis = 'S' 6 k-point = 'X' 0.500 0.500 1.000