Journal article
Recent developments in the ABINIT software package
Abstract
ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of electrons and nuclei, (molecules and periodic solids) within Density Functional Theory (DFT), Many-Body Perturbation Theory (GW approximation and Bethe–Salpeter equation) and Dynamical Mean Field Theory (DMFT). ABINIT also allows to optimize the geometry according to the DFT forces and …
Authors
Gonze X; Jollet F; Araujo FA; Adams D; Amadon B; Applencourt T; Audouze C; Beuken J-M; Bieder J; Bokhanchuk A
Journal
Computer Physics Communications, Vol. 205, , pp. 106–131
Publisher
Elsevier
Publication Date
8 2016
DOI
10.1016/j.cpc.2016.04.003
ISSN
0010-4655