Yangon is a code for calculating transport properties of molecular junctions. It is interfaced with TURBOMOLE DFT package. It implements the method is described in [1], generalized to systems with spin-orbit interactions.
Yangon is in very early stage of development and not yet ready for obtaining reliable results. Use on your own risk.
Yangon is a free software distributed under the GPL license.
- yangon - main code
- config.py - reads the configutaion file trans.in, sets up the parameters
- iolib.py - I/O functions
- tmlib.py - functions for processing TURBOMOLE input
- selib.py - functions for the self-energy caculations
- densmat.py - functions for non-equilibrium density matrix calculations
- landauer.py - functions for calculating transmission functions
- trans.in - configutaion file template
- LICENSE - a copy of the GNU General Public License
- README.md - this document
- trans.md - configuration file description