public override Band_Data Calculate_Newton_Step(SpinResolved_Data rho_prime, Band_Data g_phi)
{
DoubleTriDiagMatrix lap_mat = -1.0 * Generate_Laplacian(exp.Layers);
Band_Data rho_prime_spin_summed = rho_prime.Spin_Summed_Data;
// check that lap_mat and rho_prime have the same dimension
if (rho_prime_spin_summed.Length != lap_mat.Rows)
{
throw new Exception("Error - the Laplacian generated by pois_solv has a different order to rho_prime!");
}
for (int i = 0; i < rho_prime_spin_summed.Length; i++)
{
lap_mat[i, i] -= rho_prime_spin_summed.vec[i];
}
DoubleTriDiagFact lu_newt_step = new DoubleTriDiagFact(lap_mat);
// calculate newton step and its laplacian
Band_Data result = new Band_Data(lu_newt_step.Solve(-1.0 * g_phi.vec));
result.Laplacian = Calculate_Phi_Laplacian(result);
return(result);
}
protected override Band_Data Get_Pot_On_Regular_Grid(Band_Data charge_density)
{
// set the top and bottom boundary conditions where [0] is the bottom of the device
charge_density.vec[0] = bottom_bc * -1.0 * bottom_eps / (exp.Dz_Pot * exp.Dz_Pot);
charge_density.vec[charge_density.Length - 1] = top_bc * -1.0 * top_eps / (exp.Dz_Pot * exp.Dz_Pot);
// solve Poisson's equation
Band_Data potential = new Band_Data(lu_fact.Solve(-1.0 * charge_density.vec));
// and save its laplacian
potential.Laplacian = Calculate_Phi_Laplacian(potential);
return(potential);
}
public override Band_Data Calculate_Newton_Step(SpinResolved_Data rho_prime, Band_Data g_phi)
{
DoubleTriDiagMatrix lap_mat = -1.0 * Generate_Laplacian(exp.Layers);
Band_Data rho_prime_spin_summed = rho_prime.Spin_Summed_Data;
// check that lap_mat and rho_prime have the same dimension
if (rho_prime_spin_summed.Length != lap_mat.Rows)
throw new Exception("Error - the Laplacian generated by pois_solv has a different order to rho_prime!");
for (int i = 0; i < rho_prime_spin_summed.Length; i++)
lap_mat[i, i] -= rho_prime_spin_summed.vec[i];
DoubleTriDiagFact lu_newt_step = new DoubleTriDiagFact(lap_mat);
// calculate newton step and its laplacian
Band_Data result = new Band_Data(lu_newt_step.Solve(-1.0 * g_phi.vec));
result.Laplacian = Calculate_Phi_Laplacian(result);
return result;
}