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README.md

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CZTS thermodynamic modelling
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============================
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[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.18732.svg)](http://dx.doi.org/10.5281/zenodo.18732)
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Research data and calculations for ab initio thermodynamic modelling of
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the formation and decomposition of Cu<sub>2</sub>ZnSnS<sub>4</sub> (CZTS).
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Provided as supplementary information for publication, this is also an active project currently hosted at
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[http://github.com/WMD-Bath/CZTS-model](http://github.com/WMD-Bath/CZTS-model).
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The v1.0 tag indicates the version supplied with the project's first publication.
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This repository acts as supplementary information for a [2014 publication in *J. Mater. Chem. A*](http://dx.doi.org/10.1039/C4TA00892H), and is also an active project currently hosted at
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[http://github.com/WMD-Group/CZTS-model](http://github.com/WMD-Group/CZTS-model).
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The [releases](https://github.com/WMD-group/CZTS-model/releases) correspond to key publication points in the project:
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* [report-confirmation](https://github.com/WMD-group/CZTS-model/releases/tag/report-confirmation) [ajjackson](https://github.com/ajjackson)'s 1st year PhD confirmation report. [Not public]
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* [v1.0](https://github.com/WMD-group/CZTS-model/releases/tag/v1.0) Initial submission to *J. Mater. Chem. A*.
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* [v1.2a](https://github.com/WMD-group/CZTS-model/releases/tag/v1.2a) Supporting data for publication in *J. Mater. Chem. A.*. Includes minor bug fixes and data for comparison with [another study](https://dx.doi.org/10.1021/cm202379s), with permission from Jonathan Scragg.
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* [thesis-submission](https://github.com/WMD-group/CZTS-model/releases/tag/thesis-submission) Supporting data for ajjackson PhD thesis submission. [Initial submission is not public]
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[![DOI](https://zenodo.org/badge/doi/10.5281/zenodo.18732.svg)](http://dx.doi.org/10.5281/zenodo.18732)
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(c) Adam Jackson 2014
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(c) Adam Jackson 2016
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This code is made available under the GNU General Public Licence (GPL) v3.
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See the LICENSE file for the full text.
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