Exemplo n.º 1
0
        //       protected override Band_Data Get_ChemPot_From_External(Band_Data density)
        //       {
        //           Save_Data(density, dens_filename);
        //
        //           return Get_Data_From_External(flexpde_script, initcalc_result_filename);
        //       }

        /// <summary>
        /// Calculates the Laplacian for the given band structure of the input potential
        /// ie. returns d(eps * d(input))
        /// NOTE: the input should be a potential so make sure you divide all band energies by q_e
        /// </summary>
        public Band_Data Calculate_Phi_Laplacian(Band_Data input)
        {
            DoubleTriDiagMatrix lap_mat = Generate_Laplacian(exp.Layers);

            return(new Band_Data(MatrixFunctions.Product(lap_mat, input.vec)));
        }