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    "info": {
        "author": "Janine George",
        "author_email": "janine.george@uclouvain.be",
        "bugtrack_url": null,
        "classifiers": [
            "License :: OSI Approved :: BSD License",
            "Operating System :: OS Independent",
            "Programming Language :: Python :: 3"
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        "description": "[![License](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](https://github.com/JaGeo/IR/blob/master/LICENSE) [![DOI](https://zenodo.org/badge/101991065.svg)](https://zenodo.org/badge/latestdoi/101991065) [![Build Status](https://travis-ci.org/JaGeo/IR.svg?branch=master)](https://travis-ci.org/JaGeo/IR)\n\n# IR\nThis python package can calculate infrared intensities based on the dipole approximation. To do so, you need [```VASP```](https://www.vasp.at/) and [```Phonopy```](https://github.com/atztogo/phonopy). \n<hr></hr>\n\nWhat to cite\n------------\nIt is based on the following two publications: \n\n1. P. Giannozzi, S. Baroni, *J. Chem. Phys.*, **1994**, *100*, 8537. \n\n2. D. Karh\u00e1nek, T. Bu\u010dko, J. Hafner, *J. Phys.: Condens. Matter.*, **2010**, *22*, 265006.\n\n\n\nThey should be cited if you use the program. \n\nMoreover, the following should be cited:\n1.  [A. G\u00f6rne, J. George, J. van Leusen, R. Dronskowski, *Inorganics*, **2017**, *5*, 10.](https://doi.org/10.3390/inorganics5010010) \n\n2. J. George, & R. Dronskowski. (2018, February 7). IR Version 1.0.2 (Version v1.0.2). Zenodo. [http://doi.org/10.5281/zenodo.1168027](http://doi.org/10.5281/zenodo.1168027)  ([Bibtex](https://zenodo.org/record/1168027/export/hx)). \n\nOf course, also [```VASP```](https://www.vasp.at/) and [```Phonopy```](https://github.com/atztogo/phonopy).\n\nIntallation\n-----------\nThis package can be installed with ```pip install IR-JaGeo```.\nAlternative Installation:\nTo use this package you need to install [```Phonopy```](https://github.com/atztogo/phonopy) correctly. Furthermore, ```numpy``` and ```matplotlib``` are required. Also, the python path should be exported correctly.\n\nHow to\n--------\n1. Perform a phonon calculation with Phonopy and VASP (finite displacements or DFPT) ([More information on this procedure](https://atztogo.github.io/phonopy/procedure.html))\n2. Generate the ```FORCE_SETS``` or ```FORCE_CONSTANTS``` file\n3. Calculate BORN charges ([More information on this procedure](https://atztogo.github.io/phonopy/vasp.html) and the ```BORN``` file\n4. Download this repository, export the Python path correctly\n5. Copy an example script, adapt the names of the files and the supercell size (the one you used for the phonon calculation!)\n6. Run the script\n\n\nTodo\n--------\n1. Other functionalities\n2. Include tests\n\nInformation about the Author\n--------\n\n- J. George (Universit\u00e9 catholique de Louvain, before: RWTH Aachen University)\n- PI during the development of the code: R. Dronskowski, RWTH Aachen University\n\n\n\n",
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        "name": "IR-JaGeo",
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