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Ubiquitous Shallow Trap States and Lattice Hydrogenation of ZnO Particles
K. Aicher, T. Berger, U. Aschauer, O. Diwald
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The data in the paper can be reproduced executing the jupyter notebook analyze.ipynb, written in python 3.

The jupyter notebook should explain the directory structure sufficiently and allow the reader to follow the post-processing.

FOLDERS CONTENT:
1) ./chem_pot
	contains calculation input and output to determining chemical potential ranges
	
2) ./defect_analysis
	contains a python module to compute defect formation energies including potential alignment and image chareg correction
	
3) ./experimental
    contains all experimental figures along with their raw data and Origin files
	
4) ./MITCompatibility.yaml
	pymatgen compatibility definition
	
5) ./supercell_3_3_2
	contains calculation input and output for all defect calculations