AFLOW π: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians

Journal Article

Full Text

Duke Authors

Cited Authors

  • Supka, AR; Lyons, TE; Liyanage, L; D’Amico, P; Al Rahal Al Orabi, R; Mahatara, S; Gopal, P; Toher, C; Ceresoli, D; Calzolari, A; Curtarolo, S; Nardelli, MB; Fornari, M

Published Date

  • August 2017

Published In

Volume / Issue

  • 136 /


  • C

Start / End Page

  • 76 - 84

International Standard Serial Number (ISSN)

  • 0927-0256

Digital Object Identifier (DOI)

  • 10.1016/j.commatsci.2017.03.055