py311-abipy

Library for analyzing the results produced by ABINIT

AbiPy is a Python library to analyze the results produced by ABINIT, an open-source program for the ab-initio calculations of the physical properties of materials within Density Functional Theory and Many-Body perturbation theory. AbiPy also provides tools to generate input files and workflows to automate ab-initio calculations and typical convergence studies. AbiPy is interfaced with Pymatgen allowing users to benefit from the different tools and python objects available in the pymatgen ecosystem.