PythTB

Description

PythTB (Python Tight Binding) 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.

User instructions

PythTB is available via the modules system. To add it to your environment run:

$ module load pythtb/1.7.1

Documentation is available on the PythTB website.

Source

http://physics.rutgers.edu/pythtb

License

GPL-3.0.

Admin notes

All dependencies were installed so I installed from tarball:

mkdir -p /common/debian/9.1/PythonPackages/python/2.7/pythtb/pythtb-1.7.1/lib/python2.7/site-packages
PYTHONPATH=/common/debian/9.1/PythonPackages/python/2.7/pythtb/pythtb-1.7.1/lib/python2.7/site-packages python setup.py install --prefix=/common/debian/9.1/PythonPackages/python/2.7/pythtb/pythtb-1.7.1

mkdir -p /common/debian/9.1/PythonPackages/python/3.5/pythtb/pythtb-1.7.1/lib/python3.5/site-packages
PYTHONPATH=/common/debian/9.1/PythonPackages/python/3.5/pythtb/pythtb-1.7.1/lib/python3.5/site-packages python3 setup.py install --prefix=/common/debian/9.1/PythonPackages/python/3.5/pythtb/pythtb-1.7.1