TY - JOUR AU - Xavier Gonze AU - Bernard Amadon AU - Gabriel Antonius AU - Frédéric Arnardi AU - Lucas Baguet AU - Jean-Michel Beuken AU - Jordan Bieder AU - François Bottin AU - Johann Bouchet AU - Eric Bousquet AU - Nils Brouwer AU - Fabien Bruneval AU - Guillaume Brunin AU - Théo Cavignac AU - Jean-Baptiste Charraud AU - Wei Chen AU - Michel Côté AU - Stefaan Cottenier AU - Jules Denier AU - Grégory Geneste AU - Philippe Ghosez AU - Matteo Giantomassi AU - Yannick Gillet AU - Olivier Gingras AU - Donald R Hamann AU - Geoffroy Hautier AU - Xu He AU - Nicole Helbig AU - Natalie Holzwarth AU - Yongchao Jia AU - François Jollet AU - William Lafargue-Dit-Hauret AU - Kurt Lejaeghere AU - Miguel A.L Marques AU - Alexandre Martin AU - Cyril Martins AU - Henrique P.C Miranda AU - Francesco Naccarato AU - Kristin A Persson AU - Guido Petretto AU - Valentin Planes AU - Yann Pouillon AU - Sergei Prokhorenko AU - Fabio Ricci AU - Gian-Marco Rignanese AU - Aldo H Romero AU - Michael Marcus Schmitt AU - Marc Torrent AU - Michiel J van Setten AU - Benoit Van Troeye AU - Matthieu J Verstraete AU - Gilles Zérah AU - Josef W Zwanziger AB -

Abinit is a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles, numerous properties including total energy, electronic structure, vibrational and thermodynamic properties, different dielectric and non-linear optical properties, and related spectra. In the special issue to celebrate the 40th anniversary of CPC, published in 2009, a detailed account of Abinit was included [Gonze et al. (2009)], and has been amply cited. The present article comes as a follow-up to this 2009 publication. It includes an analysis of the impact that Abinit has had, through for example the bibliometric indicators of the 2009 publication. Links with several other computational materials science projects are described. This article also covers the new capabilities of Abinit that have been implemented during the last three years, complementing a recent update of the 2009 article published in 2016. Physical and technical developments inside the abinit  application are covered, as well as developments provided with the Abinit package, such as the multibinit and a-tdep projects, and related Abinit organization developments such as AbiPy . The new developments are described with relevant references, input variables, tests, and tutorials.

BT - Computer Physics Communications DA - 01/2020 DO - 10.1016/j.cpc.2019.107042 LA - eng N2 -

Abinit is a material- and nanostructure-oriented package that implements density-functional theory (DFT) and many-body perturbation theory (MBPT) to find, from first principles, numerous properties including total energy, electronic structure, vibrational and thermodynamic properties, different dielectric and non-linear optical properties, and related spectra. In the special issue to celebrate the 40th anniversary of CPC, published in 2009, a detailed account of Abinit was included [Gonze et al. (2009)], and has been amply cited. The present article comes as a follow-up to this 2009 publication. It includes an analysis of the impact that Abinit has had, through for example the bibliometric indicators of the 2009 publication. Links with several other computational materials science projects are described. This article also covers the new capabilities of Abinit that have been implemented during the last three years, complementing a recent update of the 2009 article published in 2016. Physical and technical developments inside the abinit  application are covered, as well as developments provided with the Abinit package, such as the multibinit and a-tdep projects, and related Abinit organization developments such as AbiPy . The new developments are described with relevant references, input variables, tests, and tutorials.

PY - 2020 EP - 107042 ST - Computer Physics Communications T2 - Computer Physics Communications TI - The Abinitproject: Impact, environment and recent developments VL - 248 SN - 00104655 ER -