<img src="https://user-images.githubusercontent.com/2452935/181300325-502f1791-51cf-4618-b00f-b90609d6e862.png" width="100">
ThermoPot: An ab-initio thermodynamic modelling package [](https://zenodo.org/badge/latestdoi/490745937)
============================
⚠️ This repository is still in development, and some functionality is untested. Use with caution.
  
Software for ab-initio thermodynamic modelling of material formation and decomposition.
- 📚 The documentation is [here](https://NU-CEM.github.io/ThermoPot).
- 🖊 If you use this package for your own work please [cite accordingly](https://github.com/NU-CEM/ThermoPot/blob/main/citation.cff).
- 🔄 This code is made available under the GNU General Public Licence (GPL) v3.
This work adapts and extends a previous repository developed by Adam Jackson: [Thermodynamic model of CZTS](http://dx.doi.org/10.5281/zenodo.57130).
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