The PythTB program

PythTB is a software package providing a Python implementation of the tight-binding approximation. It can be used to construct and solve tight-binding models of the electronic structure of systems of arbitrary dimensionality (crystals, slabs, ribbons, clusters, etc.), and is rich with features for computing Berry phases and related properties.

For information on all aspects of the PythTB package, follow these links to the official PythTB website:

In case the above site should be unavailable, you can also obtain the package from the Download and Installation section of this website.

This website

This website is provided as a companion to the book Berry Phases in Electronic Structure Theory: Electric Polarization, Orbital Magnetization and Topological Insulators, by David Vanderbilt (Rutgers University), which makes extensive use of the PythTB package to illustrate the concepts introduced there. In particular, 18 sample programs are provided in Appendix D of the book and are discussed in the main text. These can be browsed or downloaded from the Example Programs section of this website. Furthermore, some of the exercises in the book are computational in nature, providing an opportunity for readers to write and run their own PythTB programs.