This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.md: Instructions on how to reproduce the calculations and navigate the AiiDA repository.
• scripts.tar.gz: Tarball containing the scripts used to run the high-throughput calculations, as well as jupyter notebooks used to produce the main figures and tables of the study.
• archive.aiida: AiiDA database containing the self-consistent results of the Hubbard parameters for 105 Li-containing TM (TM=Fe, Mn) compounds. Note that the first step of the self-consistent cycle has been removed from the provenance due to licensing constraints (the initial structures were taken from experimental databases).