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

  • HSE06.zip: DFT calculations of CO adsorption on CeO2 (111) and (110) with HSE06 functional
  • PBE0.zip: DFT calculations of CO adsorption on CeO2 (110) with PBE0 functional
  • PBE.zip: DFT calculations of CO adsorption on CeO2 (111) and (110) with PBE functional
  • README.txt: Description of the uploaded data