Abipy

This page gives hints on how to use the Abipy ABINIT post-processor with the ABINIT package.

Copyright (C) 2016-2017 ABINIT group (SS,XG,YG)
Mentioned in   topic_DensityPotential,   topic_ElecBandStructure,   topic_ElecDOS,   help_features#10.

Table of content:

 
 

1. Introduction.

AbiPy is a Python library to analyze the results produced by ABINIT. It also provides tools to generate input files and workflows to automate ab-initio calculations and typical convergence studies. AbiPy is interfaced with Pymatgen and this allows users to benefit from the different tools and python objects available in the pymatgen ecosystem.

AbiPy can be used in conjunction with matplotlib, pandas, ipython and jupyter thus providing a powerful and user-friendly environment for data analysis and visualization. Check out the list of plotting scripts available in the examples/plot gallery. To learn more about the integration between jupyter and AbiPy, visit the collection of notebooks and the AbiPy lessons.

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