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Surface and interface effects in oxygen deficient SrMnO3 thin films grown on SrTiO3
M. Kaviani and U. Aschauer
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The data in figure 2 of the paper can be reproduced by executing the jupyter notebook SMO-STO.ipynb.

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

ABBREVIATIONS:
"VO" stands for oxygen vacancy

FOLDER CONTENT:
./SMO-STO contains the main Quantum ESPRESSO pw.x input (pw.in) and output (pw.out) files. This directory contains subdirectories for the stoichiometric structure as well as for oxygen vacancies in each atomic layer. There may be more than one oxygen vacancy position per layer, each contained in a subdirectory under the respective layer.