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

  • Pseudopotentials.zip: Pseudopotentials for O and H in both upf and psp8 format
  • Readme_snapshots_liquid_water.txt: Comment concerning the snapshots of liquid water
  • Ih_bulk_alpha04.in: QE input file (and coordinates) for bulk hexagonal ice (in the Bernal-Fowler model)
  • Ih_QSGW.in: ABINIT input file for QSGW calculation (with vertex corrections) on hexagonal ice
  • Ih_finiteelectricfield_alpha04.in: QE input file for a finite electric field calculation on hexagonal ice
  • Ih_defects.zip: QE input files (and coordinatess) for 5 neutral defects in hexagonal ice
  • Readme_scripts_finitesize_corrections.txt: Comment concerning scripts for finite-size correction scheme