A brief introduction to the ABINIT software package

X. Gonze , G.M. Rignanese , M. Verstraete , J.M. Beuken , Y. Pouillon , R. Caracas , F. Jollet , M. Torrent , G. Zerah , M. Mikami , P. Ghosez , M. Veithen , J.Y. Raty , Valério Olevano (1) , F. Bruneval (2) , L. Reining (2) , R. Godby , G. Onida , D.R. Hamann , D.C. Allan

1 TSNPE
2 LSI - Laboratoire des Solides Irradiés - Irradiated Solids Laboratory

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

X. Gonze, G.M. Rignanese, M. Verstraete, J.M. Beuken, Y. Pouillon, et al.. A brief introduction to the ABINIT software package. Zeitschrift für Kristallographie, 2005, 220, pp.558. ⟨hal-00020828⟩