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

  • README.md: description file
  • QE_source_code.zip: source code for compiling the one-shot version of Quantum Espresso
  • QE_input_files.zip: input files for defect calculations in Quantum Espresso
  • generating_potential_probe.zip: script for generating pseudopotential of the potential probe
  • Koopmans_scheme.zip: script for Koopmans' method