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Supplementary material for the journal article "An automated algorithm for reliable equation of state fitting of magnetic systems". The data are organized as follows: "input_output" folder contains input and output files of the EMTO and GPAW DFT calculations. The .txt files in the main folder contain the relevant values that have been extracted from the DFT output files. The "Manuscript_data.ipynb" Jupyter/Ipython notebook contains a Python implementation of the AEOS algorithm and cells that can be run to reproduce the results that are published in the article. The "utilities.py" file contains some utility functions, such as EOS fitting routines, that are imported by "Manuscript_data.ipynb"
Equation of state, EOS, solid state physics, condensed matter
Equation of state, EOS, solid state physics, condensed matter
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