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Combined theoretical and experimental study of the Moir\'e dislocation network at the SrTiO3-(La,Sr)(Al,Ta)O3 interface
C. Ricca, E. Skoropata, M. D. Rossell, R. Erni, U. Staub, U. Aschauer
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The data in the paper can be reproduced executing (sequentially) the jupyter notebook paper_disclocation.ipynb. 

The jupyter notebook should explain the directory structure sufficiently and allow the reader to follow the post-processing.
The cells with figures in the jupyter notebook also report the same figure number as in the paper.
paper_diffmag.ipynb is written in python 3.

ABBREVIATIONS:
"STO" stands for SrTiO3
"LSAT" stands for  (La,Sr)(Al,Ta)O3
"V_B" where B = O, Ta, Al stands for a B vacancy
"A_B" where A = Ti, Ta and B = Ti, Ta, Al stands for a substitutional defects with A substituting at a B site

FOLDERS CONTENT:
1) ./parsing_output_py3 contains python scripts used to process the data
2) ./Al contains data for the metallic Al phase
3) ./Ti contains data for the metallic Ti phase
4) ./Ta contains data for the metallic Ta phase
5) ./Sr contains data for the metallic Sr phase
6) ./La contains data for the metallic La phase
7) ./O contains the data for the O2 molecule
8) ./STO contains the data for stoichiometric SrTiO3
9) ./LSAT contains the data for stoichiometric LSAT
10) ./DISLOCATION contains the data of the calculations on the dislocation
        - ./DISLOCATION/MD contains the data for the MD simulation
        - ./DISLOCATION/BOTTOM contains the data for the DFT calculations