ABINIT: First-principles approach to material and nanosystem properties

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Abstract
ABINIT [http://www.abinit.org] allows one to study, from first-principles, systems made of electrons and nuclei (e.g. periodic solids, molecules, nanostructures, etc.), on the basis of Density-Functional Theory (DFT) and Many-Body Perturbation Theory. Beyond the computation of the total energy, charge density and electronic structure of such systems, ABINIT also implements many dynamical, dielectric, thermodynamical, mechanical, or electronic properties, at different levels of approximation.
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Title of program: ABINIT
Catalogue Id: AEEU_v1_0

Nature of problem
This package has the purpose of computing accurately material and nanostructure properties : electronic structure, bond lengths, bond angles, primitive cell size, cohesive energy, dielectric properties, vibrational properties, elastic properties, optical properties, magnetic properties, non-linear couplings, electronic and vibrational lifetimes, ...

Versions of this program held in the CPC repository in Mendeley Data
AEEU_v1_0; ABINIT; 10.1016/j.cpc.2009.07.007
AEEU_v2_0; ABINIT; 10.1016/j.cpc.2016.04.003