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

• README.txt: General information and instructions about this entry
• xsf_insulators.tar.gz: Crystal structures (XSF format) of the 81 insulating systems used in the paper when considering the valence bands only
• xsf.tar.gz: Crystal structures (XSF format) of the 200 systems used in the paper (insulators including conduction bands, or metals)
• automated_wannier_discover_data.json: Data on spreads and bands distance of all simulations
• README-virtual-machine.txt: README.txt on how to install the Virtual Machine
• tutorial-with-screenshots-VM.pdf: Instructions with screenshots on how to run a Wannierisation in the virtual machine that we provide
• wannierising_machine_19.07.ova: VirtualBox image (based on a modified version of the Quantum Mobile) to install the virtual machine to run automatic Wannierisation
• wannierising_machine_19.07_ansible_scripts.tar.gz: Ansible scripts to regenerate the virtual machine from scratch
• LICENSE.txt: License information
• README-AiiDA.txt: README.txt on how to import the AiiDA provenance database and access the data
• automatic_wannier_provenance.aiida: AiiDA database, ready to be imported, with the provenance of all calculations run in the project
• Vitale-2020-all-bands.pdf: PDF with all band structures computed in this work for easy inspection
• fermi_energies.json: Fermi energy of all materials as computed by Quantum ESPRESSO