TY - JOUR
KW - computational crystallography
KW - vibrational properties
KW - elastic properties
KW - specific heat
KW - ABINIT computer program
KW - paper
AU - X Gonze
AU - GM Rignanese
AU - M. Verstraete
AU - JM Beuken
AU - Y Pouillon
AU - R Caracas
AU - F Jollet
AU - M Torrent
AU - G Zerah
AU - M Mikami
AU - P Ghosez
AU - M Veithen
AU - JY Raty
AU - Olevano V
AU - Fabien Bruneval
AU - Lucia Reining
AU - RW Godby
AU - G Onida
AU - DR Hamann
AU - DC Allan
AB - 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.
BT - Zeitschift für Kristallographie
CY - LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
M1 - 5-6
N2 - 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.
PB - OLDENBOURG VERLAG
PP - LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY
PY - 2005
SP - 558
EP - 562
T2 - Zeitschift für Kristallographie
TI - A brief introduction to the ABINIT software package
VL - 220
ER -