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        "author": "Philipp Ruessmann, Jens Broeder, Fabian Bertoldo",
        "author_email": "p.ruessmann@fz-juelich.de",
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            "Environment :: Plugins",
            "Framework :: AiiDA",
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: MIT License",
            "Natural Language :: English",
            "Programming Language :: Python :: 2.7",
            "Topic :: Scientific/Engineering :: Physics"
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        "description": "[![Documentation Status](https://readthedocs.org/projects/aiida-kkr/badge/?version=latest)](https://aiida-kkr.readthedocs.io/en/latest/?badge=latest)\n[![Build Status](https://travis-ci.org/JuDFTteam/aiida-kkr.svg?branch=master)](https://travis-ci.org/JuDFTteam/aiida-kkr)\n[![codecov](https://codecov.io/gh/JuDFTteam/aiida-kkr/branch/master/graph/badge.svg)](https://codecov.io/gh/JuDFTteam/aiida-kkr)\n[![MIT license](http://img.shields.io/badge/license-MIT-brightgreen.svg)](http://opensource.org/licenses/MIT)\n[![GitHub version](https://badge.fury.io/gh/JuDFTteam%2Faiida-kkr.svg)](https://badge.fury.io/gh/JuDFTteam%2Faiida-kkr)\n[![PyPI version](https://badge.fury.io/py/aiida-kkr.svg)](https://badge.fury.io/py/aiida-kkr)\n\n\n# aiida-kkr\n\n[AiiDA](https://aiida.net) plugin for the [J\u00fclich KKR codes](https://jukkr.fz-juelich.de) plus workflows and utility.\n\n## Features\n\n* KKR calculations for bulk and interfaces\n* treatment of alloys using VCA or CPA\n* self-consistency, DOS and bandstructure calculations\n* extraction of magnetic exchange coupling parameters (*J_ij*, *D_ij*)\n* impurity embedding solving the Dyson equation\n* ~~import old calculations using the calculation importer~~ (only working with aiida-core<1.0, i.e. in aiida-kkr v0.1.2)\n\n\n# Installation\n\n```shell\n$ pip install aiida-kkr  # install latest version of aiida-kkr (published on pypi.org)\n$ reentry scan -r aiida  # update entry points, needed in order to find kkr.* entrypoints in aiida\n\n# setupt aiida if this was not done already:\n$ verdi quicksetup  # better to set up a new profile\n$ verdi calculation plugins  # should now show kkr.* entrypoints\n```\n\nfor developer version download the repository and install the downloaded version\n```shell\n$ git clone https://github.com/JuDFTteam/aiida-kkr.git\n$ pip install -e aiida-kkr\n$ reentry scan -r aiida\n```\n\n# Usage and Documentation\n\n* see http://aiida-kkr.readthedocs.io for user's guide and API reference.\n* check out http://judft.de and https://jukkr.fz-juelich.de for information of the KKR codes used by the plugin\n\n# Contribting guide\n\n* Under construction\n* ...\n\n\n\n",
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