Published June 6, 2024 | Version 1.0
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Assessing exchange-correlation functionals for heterogeneous catalysis of nitrogen species: VASP input and output

Authors/Creators

  • 1. ROR icon Korea Advanced Institute of Science and Technology
  • 2. ROR icon Georgia Institute of Technology

Description

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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Files (628.6 MB)

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md5:eed32c6c37bdbb91f008c3ef41d75f32
628.6 MB Download

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Journal article: arXiv:2403.14482 (arXiv)