Package

abinit

Description

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 or
wavelet 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, based on
Density-Functional Perturbation Theory, and many more properties.
Excited states can be computed within the Many-Body Perturbation Theory
(the GW approximation and the Bethe-Salpeter equation), and Time-
Dependent Density Functional Theory (for molecules). In addition to the
main ABINIT code, different utility programs are provided.

Note