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PythTB 1.7.0 Released (No replies)

dhv
8 years ago
dhv 8 years ago

Version 1.7.0 of the PythTB package has been posted at http://www.physics.rutgers.edu/pythtb.

As a reminder, PythTB is an open-source 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.).  At a basic level it can be used to calculate and plot bandstructures, but it is also rich with features for computing Berry phases (Wilson loop eigenvalues), Berry curvatures, Chern numbers, and related properties.  Aside from minor bug fixes, Version 1.7.0 provides new features for

-- Interfacing to the Wannier90 package
-- Plotting bandstructures along segmented paths in k-space
-- Computing hybrid Wannier functions and their centers for    ribbons and slabs
-- Calculating Berry curvatures and Chern numbers for 2D slices of    higher-dimensional arrays

We hope you will find this package useful.

David Vanderbilt 
Sinisa Coh 




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Ab initio (from electronic structure) calculation of complex processes in materials