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ABINIT  is a free software package for physicists, distributed under the GNU General Public License, whose main program allows the total energy, charge density, and electronic structure of systems made of electrons and nuclei (molecules and periodic/crystalline solids) to be calculated within Density Functional Theory (DFT), using pseudopotentials, and a plane wave basis.
Additional recommended knowledge
ABINIT also includes options to
Excited states can be computed within the Time-Dependent Density Functional Theory (for molecules), or within Many-Body Perturbation Theory (the GW approximation). In addition to the main ABINIT code, different utility programs are also provided.
Categories: Density functional theory | Computational chemistry software
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "ABINIT". A list of authors is available in Wikipedia.|