Assessing exchange-correlation functionals for heterogeneous catalysis of nitrogen species: VASP input and output

This contains all VASP data used in the paper titled "Assessing exchange-correlation functionals for heterogeneous catalysis of nitrogen species". Please read README.md file for the description of each file. Author list: Honghui Kim, Neung-Kyung Yu, Nianhan Tian, and Andrew J. Medford*arxiv: https://arxiv.org/abs/2403.14482