sci-physics
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.