Zeitschrift für Kristallographie - Crystalline Materials
Editor-in-Chief: Pöttgen, Rainer
Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.
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A brief introduction to the ABINIT software package
Citation Information: Zeitschrift für Kristallographie - Crystalline Materials. Volume 220, Issue 5/6, Pages 558–562, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: 10.1524/zkri.220.5.558.65066, September 2009
- June 23, 2004
- August 17, 2004
- Published Online:
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.
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