DFTTK: Density Functional Theory ToolKit for high-throughput lattice dynamics calculations

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 01, 2021
Source ID
10.1016/j.calphad.2021.102355

Entities

People

  • Allison M Beese
  • Brandon Bocklund
  • Hojong Kim
  • Long-Qing Chen
  • Mingqing Liao
  • Peng Gao
  • Shun-Li Shang
  • Yi Wang
  • Zi-Kui Liu

Organizations

  • National Aeronautics and Space Administration
  • National Science Foundation
  • Office of Basic Energy Sciences
  • Office of Naval Research
  • Office of Science
  • Pennsylvania State University
  • United States Department of Energy