global{ simulate3D{} crystal_wz{ x_hkl = [ 2,-1, 0 ] # Miller-Bravais indices of z coordinate axis y_hkl = [ 0, 1, 0 ] # Miller-Bravais indices of x coordinate axis } substrate{ name = "AlN" } temperature = 300.0 # Kelvin } $SPACING = 1.0 $SHIFT = 0.0 grid{ xgrid{ line{ pos = 0.5 + $SHIFT spacing = $SPACING } line{ pos = 99.5 + $SHIFT spacing = $SPACING } } ygrid{ line{ pos = 0.5 + $SHIFT spacing = $SPACING } line{ pos = 99.5 + $SHIFT spacing = $SPACING } } zgrid{ line{ pos = 0.5 + $SHIFT spacing = $SPACING } line{ pos = 99.5 + $SHIFT spacing = $SPACING } } } structure{ output_region_index{ boxes = no } region{ everywhere{ } contact { name = dummy } binary{ name = "GaN" } } region{ cylinder{ # 3-dimensional cylinder object axis_start = [50, 50, 30] # begin of cylinder axis axis_end = [50, 50, 60] # end of cylinder axis radius = 20 # radius of cylinder } binary{ name = "InN" } } } contacts{ fermi{ name = "dummy" bias = 0} # define reference energy } classical{ Gamma{} HH{} LH{} SO{} }