All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

Journal Article

Full Text

Duke Authors

Cited Authors

  • Knuth, F; Carbogno, C; Atalla, V; Blum, V; Scheffler, M

Published Date

  • May 2015

Published In

Volume / Issue

  • 190 /

Chapter

  • C

Start / End Page

  • 33 - 50

International Standard Serial Number (ISSN)

  • 0010-4655

Digital Object Identifier (DOI)

  • 10.1016/j.cpc.2015.01.003