Favago Transport Programming Interface

Introduction

Interfaces

root/

root/utils

Data structures

Examples







OverlapIntegrals

  Copyright (C) 2009-2015 Peter Rakyta, Ph.D.
  This program is free software: you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 3 of the License, or
  (at your option) any later version.
  This program is distributed in the hope that it will be useful,
  but WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
  GNU General Public License for more details.
  You should have received a copy of the GNU General Public License
  along with this program.  If not, see http://www.gnu.org/licenses/.

Description

Provides an interface for applying the overlap integrals in the system.

Syntax

interface = OverlapIntegrals()

Attributes

  • S_Hscatter

    Overlap integrals in the scattering region.
  • S_H0

    Overlap integrals in the unit cell of the lead.
  • S_H1

    Overlap integrals of the coupling matrix in the lead.

Methods

ApplyOverlapInScatter

OverlapIntegrals::ApplyOverlapInScatter

Applies overlap integrals in the scattering region.

Syntax

interface.ApplyOverlapInScatter( Way2Hamiltonian, E )

Parameters
Way2Hamiltonian An instance of interface CreateHamiltonians.
E The energy used in the calculations.






ApplyOverlapInLeads

OverlapIntegrals::ApplyOverlapInLeads

Disposes the loaded file.

Syntax

interface.ApplyOverlapInLeads( Surface_tmp, E )

Parameters
Surface_tmp An instance of interface Surface_Green_function.
E The energy used in the calculations.