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.. aiida-phonopy documentation master file, created by | ||
sphinx-quickstart on Sun Nov 5 19:17:56 2017. | ||
You can adapt this file completely to your liking, but it should at least | ||
contain the root `toctree` directive. | ||
Welcome to aiida-phonopy's documentation! | ||
========================================= | ||
Welcome to aiida-phonopy | ||
======================== | ||
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.. toctree:: | ||
:maxdepth: 2 | ||
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install | ||
introduction | ||
data/index | ||
codes/index | ||
workchains/index | ||
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phonopy |
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Installation | ||
============ | ||
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:: | ||
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pip install -e aiida-phonopy | ||
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Requirements | ||
------------ | ||
The following packages are required. | ||
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* AiiDA v1.0.0b6 | ||
* phonopy v2.3.2 | ||
* aiida-core v1.2.1 | ||
* aiida-vasp v1.0.0 | ||
* phonopy v2.7.0 | ||
* seekpath | ||
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Currently only aiida-vasp can be used as the calculator plugin. | ||
The installation can be done by | ||
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:: | ||
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git clone https://github.com/aiida-phonopy/aiida-phonopy.git | ||
cd aiida-phonopy | ||
pip install -e . |
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