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
OverlapIntegrals::ApplyOverlapInScatter
Description
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.
|
OverlapIntegrals::ApplyOverlapInLeads
Description
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.
|