abipy
Python package to automate ABINIT calculations and analyze the results.
Python package to automate ABINIT calculations and analyze the results.
To install this package, run one of the following:
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
Summary
Python package to automate ABINIT calculations and analyze the results.
Last Updated
Oct 18, 2019 at 18:26
License
GNU General Public License v2 (GPLv2)
Total Downloads
3.3K
Supported Platforms
GitHub Repository
https://github.com/abinit/abipyDocumentation
https://abinit.github.io/abipy