The Abinitproject: Impact, environment and recent developments

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

doi:10.1016/j.cpc.2019.107042

Public

The Abinitproject: Impact, environment and recent developments

Published in Computer Physics Communications • Nov 18, 2019

Authors:

Xavier Gonze

Bernard Amadon

Gabriel Antonius

Abstract

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 die...

Subject

Python (programming language)

Computer science

Programming language

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