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dandavies99 authored Dec 18, 2020
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Surfaxe is a python package for automating and simplifying surface calculations, as well as providing some analytical tools for bulk and surface calculations. It relies primarily on [Pymatgen](pymatgen.org) for manipulating crystal structures and interfacing with VASP.

<img src="example_data/figures/surfaxe_workflow.png" alt="drawing" width="600"/>

The main features include:

1. **Slab generation:** Automated generation of surface slabs from command line.
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