Supporting Data for the manuscript "Surface phase diagrams of pristine and hydroxylated barium hexaferrite surfaces from first-principles atomistic thermodynamics"

The input and output files for the publication "Surface phase diagrams of pristine and hydroxylated barium hexaferrite surfaces from first-principles atomistic thermodynamics" (10.1016/j.apsusc.2023.157890). The directory structure and naming scheme is explained in the README.md file.