General announcements

Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…

Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.

In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.


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 




Back to General announcements...

Leave a Reply

This site uses Akismet to reduce spam. Learn how your comment data is processed.

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