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Python package to automate ABINIT calculations and analyze the results.

Installers

  • linux-64 v0.7.0
  • osx-64 v0.7.0

conda install

To install this package run one of the following:
conda install abinit::abipy

Description

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. 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


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