This record contains the following files:

Structures_Hybrids.tar.gz
	Contains the optimized geometries corresponding to all oxygen evolution reaction intermediates.
	The vacuum interfaces of the following set of materials are considered: SnO2, Ni2P, rutile TiO2, anatase TiO2, IrO2, RuO2, BiVO4.
	These structures were obtained using hybrid density functionals.
	The geometries are given in the XYZ file format.
	
Structures_RPBE.tar.gz
	Contains the optimized geometries corresponding to all oxygen evolution reaction intermediates.
	The vacuum interfaces of the following set of materials are considered: SnO2, Ni2P, rutile TiO2, anatase TiO2, IrO2, RuO2, BiVO4.
	These structures were obtained using the RPBE functional.
	The geometries are given in the XYZ file format.

TiO2_PBE0.inp
	Sample CP2K input file for a hybrid functional (PBE0) calculation.

TiO2_RPBE.inp
	Sample CP2K input file for an RPBE calculation.