Band Structure Unfolding & Plotting with Python (easyunfold)

Описание к видео Band Structure Unfolding & Plotting with Python (easyunfold)

Citable DOI: 10.5281/zenodo.10981853

Tutorial video with an overview of the theory of band structure unfolding, before introducing easyunfold (https://smtg-bham.github.io/easyunfold), our python package for simplifying the calculation workflow and offering many customisable options for plotting (atom/orbital/site-projected, with DOS alongside, adjustable colourmaps, normalisation...) – as well as computing carrier effective masses.

Check out the docs here: https://smtg-bham.github.io/easyunfold/
And the JOSS paper here: https://joss.theoj.org/papers/10.2110...

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