ABINIT

ABINIT is an open-source suite of programs for materials science, distributed under the GNU General Public License. ABINIT implements density functional theory, using a plane wave basis set and pseudopotentials, to compute the electronic density and derived properties of materials ranging from molecules to surfaces to solids. It is developed collaboratively by researchers throughout the world.^[1]^[2]^[3]^[4]^[5] A web-based easy-to-use graphical version, which includes access to a limited set of ABINIT's full functionality, is available for free use through the nanohub.

The latest version 9.10.3 was released on June 24, 2023.

^ X. Gonze; J.-M. Beuken; R. Caracas; F. Detraux; M. Fuchs; G.-M. Rignanese; L. Sindic; M. Verstraete; G. Zerah; F. Jollet; M. Torrent; A. Roy; M. Mikami; P. Ghosez; J.-Y. Raty; D.C. Allan (2002). "First-principles computation of material properties: the ABINIT software project". Computational Materials Science. 25 (3): 478. doi:10.1016/S0927-0256(02)00325-7.
^ X. Gonze; G.-M. Rignanese; M. Verstraete; J.-M. Beuken; Y. Pouillon; R. Caracas; F. Jollet; M. Torrent; G. Zerah; M. Mikami; Ph. Ghosez; M. Veithen; J.-Y. Raty; V. Olevano; F. Bruneval; L. Reining; R.W. Godby; G. Onida; D.R. Hamann; D.C. Allan (2005). "A brief introduction to the ABINIT software package". Zeitschrift für Kristallographie. 220 (5/6): 558–562. Bibcode:2005ZK....220..558G. CiteSeerX 10.1.1.472.7014. doi:10.1524/zkri.220.5.558.65066. ISSN 2196-7105. S2CID 41972265.
^ X. Gonze; B. Amadon; P.-M. Anglade; J.-M. Beuken; F. Bottin; P. Boulanger; F. Bruneval; D. Caliste; R. Caracas; M. Côté; T. Deutsch; L. Genovese; Ph. Ghosez; M. Giantomassi; S. Goedecker; D.R. Hamann; P. Hermet; F. Jollet; G. Jomard; S. Leroux; M. Mancini; S. Mazevet; M.J.T. Oliveira; G. Onida; Y. Pouillon; T. Rangel; G.-M. Rignanese; D. Sangalli; R. Shaltaf; M. Torrent; M.J. Verstraete; G. Zerah; J.W. Zwanziger (2009). "ABINIT: First-principles approach to material and nanosystem properties". Computer Physics Communications. 180 (12): 2582. Bibcode:2009CoPhC.180.2582G. doi:10.1016/j.cpc.2009.07.007. hdl:10261/95956.
^ Gonze, X.; Jollet, F.; Abreu Araujo, F.; Adams, D.; Amadon, B.; Applencourt, T.; Audouze, C.; Beuken, J.-M.; Bieder, J.; Bokhanchuk, A.; Bousquet, E.; Bruneval, F.; Caliste, D.; Côté, M.; Dahm, F.; Da Pieve, F.; Delaveau, M.; Di Gennaro, M.; Dorado, B.; Espejo, C.; Geneste, G.; Genovese, L.; Gerossier, A.; Giantomassi, M.; Gillet, Y.; Hamann, D.R.; He, L.; Jomard, G.; Laflamme Janssen, J.; Le Roux, S.; Levitt, A.; Lherbier, A.; Liu, F.; Lukačević, I.; Martin, A.; Martins, C.; Oliveira, M.J.T.; Poncé, S.; Pouillon, Y.; Rangel, T.; Rignanese, G.-M.; Romero, A.H.; Rousseau, B.; Rubel, O.; Shukri, A.A.; Stankovski, M.; Torrent, M.; Van Setten, M.J.; Van Troeye, B.; Verstraete, M.J.; Waroquiers, D.; Wiktor, J.; Xu, B.; Zhou, A.; Zwanziger, J.W. (2016). "Recent developments in the ABINIT software package". Computer Physics Communications. 205: 106–131. Bibcode:2016CoPhC.205..106G. doi:10.1016/j.cpc.2016.04.003. ISSN 0010-4655.
^ Gonze, Xavier; Amadon, Bernard; Antonius, Gabriel; Arnardi, Frédéric; Baguet, Lucas; Beuken, Jean-Michel; Bieder, Jordan; Bottin, Francois; Bouchet, Johann; Bousquet, Eric; Brouwer, Nils; Bruneval, Fabien; Brunin, Guillaume; Cavignac, Théo; Charraud, Jean-Baptiste; Chena, Wei; Côté, Michel; Cottenier, Stefaan; Denier, Jules; Geneste, Grégory; Ghosez, Philippe; Giantomassi, Matteo; Gillet, Yannick; Gingras, Olivier; Hamann, Donald; Hautier, Geoffroy; He, Xu; Helbig, Nicole; Holzwarth, Natalie; Jia, Yongchao; Jollet, François; Lafargue-Dit-Hauret, William; Lejaeghere, Kurt; Marques, Miguel; Martin, Alexandre; Martins, Cyril; Miranda, Henrique; Naccarato, Francesco; Persson, Kristin; Petretto, Guido; Planes, Valentin; Pouillon, Yann; Prokhorenko, Sergei; Ricci, Fabio; Rignanese, Gian-Marco; Romero, Aldo; Schmitt, Michael; Torrent, Marc; van Setten, Michiel; Van Troeye, Benoit; Verstraete, Matthieu; Zérah, Gilles; Zwanziger, Josef (2020). "The Abinit project: Impact, environment and recent developments". Computer Physics Communications. 248: 107042. Bibcode:2020CoPhC.24807042G. doi:10.1016/j.cpc.2019.107042. S2CID 209934687.

[1] X. Gonze; J.-M. Beuken; R. Caracas; F. Detraux; M. Fuchs; G.-M. Rignanese; L. Sindic; M. Verstraete; G. Zerah; F. Jollet; M. Torrent; A. Roy; M. Mikami; P. Ghosez; J.-Y. Raty; D.C. Allan (2002). "First-principles computation of material properties: the ABINIT software project". Computational Materials Science. 25 (3): 478. doi:10.1016/S0927-0256(02)00325-7.

[2] X. Gonze; G.-M. Rignanese; M. Verstraete; J.-M. Beuken; Y. Pouillon; R. Caracas; F. Jollet; M. Torrent; G. Zerah; M. Mikami; Ph. Ghosez; M. Veithen; J.-Y. Raty; V. Olevano; F. Bruneval; L. Reining; R.W. Godby; G. Onida; D.R. Hamann; D.C. Allan (2005). "A brief introduction to the ABINIT software package". Zeitschrift für Kristallographie. 220 (5/6): 558–562. Bibcode:2005ZK....220..558G. CiteSeerX 10.1.1.472.7014. doi:10.1524/zkri.220.5.558.65066. ISSN 2196-7105. S2CID 41972265.

[3] X. Gonze; B. Amadon; P.-M. Anglade; J.-M. Beuken; F. Bottin; P. Boulanger; F. Bruneval; D. Caliste; R. Caracas; M. Côté; T. Deutsch; L. Genovese; Ph. Ghosez; M. Giantomassi; S. Goedecker; D.R. Hamann; P. Hermet; F. Jollet; G. Jomard; S. Leroux; M. Mancini; S. Mazevet; M.J.T. Oliveira; G. Onida; Y. Pouillon; T. Rangel; G.-M. Rignanese; D. Sangalli; R. Shaltaf; M. Torrent; M.J. Verstraete; G. Zerah; J.W. Zwanziger (2009). "ABINIT: First-principles approach to material and nanosystem properties". Computer Physics Communications. 180 (12): 2582. Bibcode:2009CoPhC.180.2582G. doi:10.1016/j.cpc.2009.07.007. hdl:10261/95956.

[GonzeJollet2016-4] Gonze, X.; Jollet, F.; Abreu Araujo, F.; Adams, D.; Amadon, B.; Applencourt, T.; Audouze, C.; Beuken, J.-M.; Bieder, J.; Bokhanchuk, A.; Bousquet, E.; Bruneval, F.; Caliste, D.; Côté, M.; Dahm, F.; Da Pieve, F.; Delaveau, M.; Di Gennaro, M.; Dorado, B.; Espejo, C.; Geneste, G.; Genovese, L.; Gerossier, A.; Giantomassi, M.; Gillet, Y.; Hamann, D.R.; He, L.; Jomard, G.; Laflamme Janssen, J.; Le Roux, S.; Levitt, A.; Lherbier, A.; Liu, F.; Lukačević, I.; Martin, A.; Martins, C.; Oliveira, M.J.T.; Poncé, S.; Pouillon, Y.; Rangel, T.; Rignanese, G.-M.; Romero, A.H.; Rousseau, B.; Rubel, O.; Shukri, A.A.; Stankovski, M.; Torrent, M.; Van Setten, M.J.; Van Troeye, B.; Verstraete, M.J.; Waroquiers, D.; Wiktor, J.; Xu, B.; Zhou, A.; Zwanziger, J.W. (2016). "Recent developments in the ABINIT software package". Computer Physics Communications. 205: 106–131. Bibcode:2016CoPhC.205..106G. doi:10.1016/j.cpc.2016.04.003. ISSN 0010-4655.

[5] Gonze, Xavier; Amadon, Bernard; Antonius, Gabriel; Arnardi, Frédéric; Baguet, Lucas; Beuken, Jean-Michel; Bieder, Jordan; Bottin, Francois; Bouchet, Johann; Bousquet, Eric; Brouwer, Nils; Bruneval, Fabien; Brunin, Guillaume; Cavignac, Théo; Charraud, Jean-Baptiste; Chena, Wei; Côté, Michel; Cottenier, Stefaan; Denier, Jules; Geneste, Grégory; Ghosez, Philippe; Giantomassi, Matteo; Gillet, Yannick; Gingras, Olivier; Hamann, Donald; Hautier, Geoffroy; He, Xu; Helbig, Nicole; Holzwarth, Natalie; Jia, Yongchao; Jollet, François; Lafargue-Dit-Hauret, William; Lejaeghere, Kurt; Marques, Miguel; Martin, Alexandre; Martins, Cyril; Miranda, Henrique; Naccarato, Francesco; Persson, Kristin; Petretto, Guido; Planes, Valentin; Pouillon, Yann; Prokhorenko, Sergei; Ricci, Fabio; Rignanese, Gian-Marco; Romero, Aldo; Schmitt, Michael; Torrent, Marc; van Setten, Michiel; Van Troeye, Benoit; Verstraete, Matthieu; Zérah, Gilles; Zwanziger, Josef (2020). "The Abinit project: Impact, environment and recent developments". Computer Physics Communications. 248: 107042. Bibcode:2020CoPhC.24807042G. doi:10.1016/j.cpc.2019.107042. S2CID 209934687.

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