With the material parameters and mesh data properly defined/computed, HADOKEN initializes the self-consistent procedure by providing a zeroth-order guess for the total potential, V T ( x, ỹ). For hexagonal geometries not containing polarization source terms, this guess potential is provided by the V_conduction_band.m m-file, which contains only the bare conduction band edge profile, V hex CB ( x, ỹ), given by Eqs. ( ) or (3). As mentioned previously in Section 2, V_conduction_band.m sets the zero of the potential energy at the minimum of the conduction band edge for NWs obeying a charge-neutrality constraint. For NWs constrained with an externally-pinned Fermi level, the zero of energy is set at the outer shell edge. Since V hex CB ( x, ỹ) is defined piecewise in the core/shell regions, the general-purpose heaviside_core_schrod.m m-file-which returns a value of 1 for inputted ( x, ỹ) pairs that lie within the core region of the nanowire and 0 otherwise-is used to construct an appropriately scaled conduction band edge profile in V_conduction_band.m.