---------------------------------------------------------------------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------------------------------------------------------------------- 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