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Fork of tight-binding python package developed by Sinisa Coh and David Vanderbilt.

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PythTB: Tight-binding python package

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.

Here we provide a fork of the original project PythTB, developed and mantained by Sinisa Coh (University of California at Riverside), David Vanderbilt (Rutgers University) and others. All credit of the essential implementation goes to the original developers.

For now this fork is to modify this package in order to optimize and improve some functions. The version of the original package is at 1.7.2. However, in this fork we are looking to make major modifications, so the original package is fixed as version 0.2.0.

Installation

To install the latest version of PythTB simply type in terminal:

pip install pythtb --upgrade

Requeriments

In addition, you will need to have Numpy and Matplotlib installed. On a Unix/Linux/Mac system, you may be able to install these using your Package Manager.

More information

For more details about the package, please see: http://www.physics.rutgers.edu/pythtb/.