Assessing exchange-correlation functionals for heterogeneous catalysis of nitrogen species: VASP input and output
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资源简介：
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
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Zenodo创建时间：
2024-06-06
