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.
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

Cite this

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title = "dftbplus/dftbplus [DFTB+]: Release 17.1",
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.",
keywords = "quantum chemistry, condensed matter simulation, materials science modelling, semi-empirical models",
author = "B{\'a}lint Aradi and Ben Hourahine",
year = "2017",
month = "6",
day = "16",
doi = "10.5281/zenodo.809965",
language = "English",
edition = "Geneva",

}

dftbplus/dftbplus [DFTB+] : Release 17.1. Aradi, Bálint (Developer); Hourahine, Ben (Developer). 2017.

Research output: Non-textual formSoftware

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T1 - dftbplus/dftbplus [DFTB+]

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A2 - Aradi, Bálint

A2 - Hourahine, Ben

PY - 2017/6/16

Y1 - 2017/6/16

N2 - 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.

AB - 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.

KW - quantum chemistry

KW - condensed matter simulation

KW - materials science modelling

KW - semi-empirical models

UR - https://github.com/dftbplus/dftbplus/tree/17.1

UR - http://www.dftbplus.org

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M3 - Software

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