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

  • Readme_DDCAM_input.txt: Comment concerning DD-CAM calculation
  • CsPbI3_DDPBE0_hybrid_calculation.in: ABINIT input file for DD-PBE0 calculation (hybrid calculation) on CsPbI3
  • CsPbI3_QSGW.in: ABINIT input file for QSGW calculation on CsPbI3
  • Readme_scripts_finitesize_corrections.txt: Comment concerning scripts for finite-size correction scheme
  • CsPbI3_DDPBE0_eps_calculation.in: ABINIT input file for DD-PBE0 calculation (epsilon calculation) on CsPbI3
  • Pseudopotentials.zip: Pseudopotentials (in upf and psp8 format)
  • lattice_constants.txt: List of lattice constants for the cubic phase
  • CsPbI3_VI_neutral_alpha02.in: QE input file (and coordinates) for an iodine vacancy in CsPbI3