WeakEquationSchrodinger.cpp
494ee3b26c32lammm-master-deprecated

WeakEquationSchrodinger.cpp
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			#include "WeakEquationSchrodinger.h"
			#include "Material.h"
			#include <iostream>
			#include <fstream>

			namespace ATC {

			//==============================================================
			// Class WeakEquationSchrodinger
			//==============================================================

			//--------------------------------------------------------------
			// Constructor
			//--------------------------------------------------------------
			WeakEquationSchrodinger::WeakEquationSchrodinger()
			: WeakEquation(EIGENVALUE_PDE,ELECTRON_WAVEFUNCTION,1) // w=0 inhomo soln
			{}
			//--------------------------------------------------------------
			// Destructor
			//---------------------------------------------------------------------
			WeakEquationSchrodinger::~WeakEquationSchrodinger(void)
			{}

			//---------------------------------------------------------------------
			void WeakEquationSchrodinger::BB_tangent_coefficients(
			const FieldName field,
			const FIELD_MATS & fields,
			const Material* material,
			DENS_MAT &coefs) const
			{
			material->inv_effective_mass(fields, coefs);// scaled by 1/2 hbar^2
			}
			//---------------------------------------------------------------------

			void WeakEquationSchrodinger::NN_tangent_coefficients(
			const FieldName field,
			const FIELD_MATS & fields,
			const Material* material,
			DENS_MAT & V) const
			{
			material->band_edge_potential(fields,V);
			FIELD_MATS::const_iterator phiField = fields.find(ELECTRIC_POTENTIAL);
			const DENS_MAT & phi = phiField->second;
			V -= phi; // phi in volts equals \|e\|*phi in [eV]'s
			}

			};