A brief introduction to the ABINIT software package

Xavier Gonze, Gian Marco Rignanese, Matthieu Verstraete, Jean Michel Beuken, Yann Pouillon, Razvan Caracas, Francois Jollet, Marc Torrent, Gilles Zerah, Masayoshi Mikami, Philippe Ghosez, Marek Veithen, Jean Yves Raty, Valerio Olevano, Fabien Bruneval, Lucia Reining, Rex Godby, Giovanni Onida, Donald R. Hamann, Douglas C. Allan

Research output: Contribution to journalArticlepeer-review

1147 Citations (Scopus)

Abstract

A brief introduction to the ABINIT software package is given. Available under a free software license, it allows to compute directly a large set of properties useful for solid state studies, including structural and elastic properties, prediction of phase (meta)stability or instability, specific heat and free energy, spectroscopic and vibrational properties. These are described, and corresponding applications are presented. The emphasis is also laid on its ease of use and extensive documentation, allowing newcomers to quickly step in.

Original languageEnglish
Pages (from-to)558-562
Number of pages5
JournalZeitschrift fur Kristallographie
Volume220
Issue number5-6
DOIs
Publication statusPublished - 2005
Externally publishedYes

Fingerprint

Dive into the research topics of 'A brief introduction to the ABINIT software package'. Together they form a unique fingerprint.

Cite this