Scientific Data (Apr 2021)

Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory

  • Kevin F. Garrity,
  • Kamal Choudhary

DOI
https://doi.org/10.1038/s41597-021-00885-z
Journal volume & issue
Vol. 8, no. 1
pp. 1 – 10

Abstract

Read online

Measurement(s) material property • electronic band structure Technology Type(s) computational modeling technique Factor Type(s) material Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.14161406