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Ferrimagnetism induced by thermal vibrations in oxygen deficient manganites
M. Kaviani, C. Ricca and U. Aschauer
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The data in the paper can be reproduced executing the jupyter notebook paper_diffmag.ipynb, written in python 3.

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

ABBREVIATIONS:
"SMO" stands for SrMnO3
"SCMO" stands for SrCaMnO3
"VO" stands for oxygen vacancy
"Eform" stands for formation energy
"NEB" stands for nudged elastic band

FOLDERS CONTENT:
1) ./parsers.py 
	contain python functions used to process the data
	
2) ./data/SrMnO3/stoichiometric
	contains data for stoichiometric bulk SMO
	
3) ./data/SrMnO3/vacancies
	contains data for defective SMO structures
	
4) ./data/SrMnO3/nebs
	contains the NEB calculations for SMO
	
5) ./data/SrCaMn3/along_b/unstrained/stoichiometric
	contains data for stoichiometric unstrained SrCaMnO3
	
6) ./data/SrCaMn3/along_b/unstrained/vacancies
	contains data for defective unstrained SrCaMnO3
	
7) ./data/SrCaMn3/along_b/unstrained/vacancies
	contains the NEB calculations for unstrained SrCaMnO3
	
8) ./data/SrCaMn3/along_b/strain_+4/stoichiometric
	contains data for stoichiometric 4% tensile strained SrCaMnO3
	
9) ./data/SrCaMn3/along_b/strain_+4/vacancies
	contains data for defective 4% tensile strained SrCaMnO3
	
10) ./data/SrCaMn3/along_b/strain_+4/vacancies
	contains the NEB calculations for 4% tensile strained SrCaMnO3