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ABINIT

open-source suite of programs for materials science

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Record originEnglish Wikipedia
Text licenseCC BY-SA 4.0
Source revisionMar 20, 2026
Entity authorityQ4033170
Source-derived summary

ABINIT is an open-source suite of programs for materials science, distributed under the GNU General Public License. ABINIT implements density functional theory, using a plane wave basis set and pseudopotentials, to compute the electronic density and derived properties of materials ranging from molecules to surfaces to solids. It is developed collaboratively by researchers throughout the world.

A web-based easy-to-use graphical version, which includes access to a limited set of ABINIT's full functionality, is available for free use through the nanohub.

The latest version 10.6.5 was released in March 2026.

Overview

ABINIT implements density functional theory by solving the Kohn–Sham equations describing the electrons in a material, expanded in a plane wave basis set and using a self-consistent conjugate gradient method to determine the energy minimum. Computational efficiency is achieved through the use of fast Fourier transforms, and pseudopotentials to describe core electrons. As an alternative to standard norm-conserving pseudopotentials, the projector augmented-wave method may be used. In addition to total energy, forces and stresses are also calculated so that geometry optimizations and ab initio molecular dynamics may be carried out. Materials that can be treated by ABINIT include insulators, metals, and magnetically ordered systems including Mott-Hubbard insulators.

Editorial summary

“ABINIT” enters the record as open-source suite of programs for materials science. Crown Archives preserves that source wording while asking what ABINIT, open-source and suite can confirm, complicate or overturn.

Editorial reviewA concise reference frame for defining the subject, testing terminology and identifying the institution closest to the evidence. The current lead gives the account dated anchors—2026—that can be checked directly. The selected authority fields contribute no independent date. Its strongest next move is a source search built around ABINIT, open-source and suite.
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Source & attribution

This entry incorporates text from ABINIT” on English Wikipedia. Contributors are listed in the page history. Text is available under the Creative Commons Attribution-ShareAlike 4.0 License. Selected authority identifiers and statements are retrieved from Wikidata under CC0; their references and qualifiers remain part of the verification path.