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A brief introduction to the ABINIT software package

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Author
X Gonze
GM Rignanese
M. Verstraete
JM Beuken
Y Pouillon
R Caracas
F Jollet
M Torrent
G Zerah
M Mikami
P Ghosez
M Veithen
JY Raty
Olevano V
Fabien Bruneval
Lucia Reining
RW Godby
G Onida
DR Hamann
DC Allan
Keywords
computational crystallography
vibrational properties
elastic properties
specific heat
ABINIT computer program
paper
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.

Year of Publication
2005
Journal
Zeitschift für Kristallographie
Volume
220
Number of Pages
558-562
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