dftbplus/dftbplus [DFTB+]: Release 17.1

Bálint Aradi (Developer), Ben Hourahine (Developer)

Research output: Non-textual formSoftware

Abstract

DFTB+ is an implementation of the Density Functional based Tight Binding (DFTB) method, containing many extensions to the original method. The development is supported by various groups, resulting in a code which is probably the most versatile DFTB-implementation, with some unique features not available in other implementations so far.
Original languageEnglish
EditionGeneva
Media of outputOnline
Size1.3 MB
DOIs
Publication statusPublished - 16 Jun 2017

Keywords

  • quantum chemistry
  • condensed matter simulation
  • materials science modelling
  • semi-empirical models

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