ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave basis. ABINIT also includes options to optimize the geometry according to the DFT forces and stresses, or to perform molecular dynamics simulations using these forces, or to generate dynamical matrices, Born effective charges, and dielectric tensors. 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 provided. ABINIT is a project that favours development and collaboration (short presentation of the ABINIT project – 10 pages in pdf). http://www.abinit.org/Infos/Presentation/presentation.pdf

Version: 8.10.2

Availability: MARCONI

Target: all

Official web site: http://www.abinit.org/

Related Commands:

You can load the module with the command:

module load autoload abinit

Help and Documentation:

You can find documentation on the module with the command:

module help abinit

Please ask our UserSupport (mailto: superc@cineca.it) for any problem or additional info.

The manual is on the web (http://www.abinit.org/documentation) at the original home page.