Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids

Bučko, Tomáš; Lebègue∥, Sébastien; Hafner, J.; G. Ángyán, János

doi:10.1103/physrevb.87.064110

Public

Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids

Published in Physical Review B • Feb 26, 2013

Authors:

Tomáš Bučko

Sébastien Lebègue∥

J. Hafner

Abstract

The method proposed by Tkatchenko and Scheffler [Phys. Rev. Lett. 102, 073005 (2009)] to correct density functional calculations for the missing van der Waals interactions is implemented in the Vienna ab initio simulation package (vasp) code and tested on a wide range of solids, including noble-gas ...

Subject

van der Waals force

Van der Waals radius

Van der Waals strain

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