dftbplus/dftbplus [DFTB+] : Release 17.1

Aradi, Bálint and Hourahine, Ben (2017) dftbplus/dftbplus [DFTB+] : Release 17.1. Zenodo. (https://doi.org/10.5281/zenodo.809965)

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.

ORCID iDs

Hourahine, Ben ORCID: https://orcid.org/0000-0002-7667-7101

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• Item metadata

  Item type:	Other
  ID code:	61069
  Dates:	Date Event 16 June 2017 Published
  Subjects:	Science > Physics Science > Mathematics > Computer software
  Department:	Faculty of Science > Physics
  Depositing user:	Pure Administrator
  Date deposited:	23 Jun 2017 11:19
  Last modified:	11 Nov 2024 16:09
  Related URLs:	Related item Related item
  URI:	https://strathprints.strath.ac.uk/id/eprint/61069