**************************************************************************************************** * * * aflow - Automatic-FLOW for materials discovery * * aflow.org consortium - High-Throughput ab-initio Computing Project * * * **************************************************************************************************** * * * AFLOW is free software: you can redistribute it and/or modify it under the terms of the * * GNU General Public License as published by the Free Software Foundation, either version 3 * * of the License, or (at your option) any later version. * * * * This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; * * without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. * * See the GNU General Public License for more details. * * * * You should have received a copy of the GNU General Public License along with this program. * * If not, see . * * * **************************************************************************************************** * * * Use of AFLOW software and repositories welcomes references to the following publications: * * * * Esters et al. Comp. Mat. Sci. 216, 111808 (2023) 10.1016/j.commatsci.2022.111808 (AFLOW.org) * * Oses et al. Comp. Mat. Sci. 217, 111889 (2023) 10.1016/j.commatsci.2022.111889 (aflow++) * * Friedrich et al. npj Comput. Mater. 5, 59 (2019) 10.1038/s41524-019-0192-1 (CCE) * * Hicks et al. Comp. Mat. Sci. 161, S1 (2019) 10.1016/j.commatsci.2018.10.043 (ANRL proto2) * * Oses et al. J. Chem. Inf. Model. (2018) 10.1021/acs.jcim.8b00393 (AFLOW-CHULL) * * Gossett et al. Comp. Mat. Sci. 152, 134 (2018) 10.1016/j.commatsci.2018.03.075 (AFLOW-ML) * * Hicks et al. Acta Cryst. A74, 184-203 (2018) 10.1107/S2053273318003066 (AFLOW-SYM) * * MBNardelli et al Comp. Mat. Sci. 143, 462 (2018) 10.1016/j.commatsci.2017.11.034 (PAOFLOW) * * Rose et al. Comp. Mat. Sci. 137, 362 (2017) 10.1016/j.commatsci.2017.04.036 (AFLUX lang) * * Supka et al. Comp. Mat. Sci. 136, 76 (2017) 10.1016/j.commatsci.2017.03.055 (AFLOWpi) * * Plata et al. npj Comput. Mater. 3, 45 (2017) 10.1038/s41524-017-0046-7 (AAPL kappa) * * Toher et al. Phys. Rev.Mater.1, 015401 (2017) 10.1103/PhysRevMaterials.1.015401 (AEL elast) * * Mehl et al. Comp. Mat. Sci. 136, S1 (2017) 10.1016/j.commatsci.2017.01.017 (ANRL proto1) * * Calderon et al. Comp. Mat. Sci. 108A, 233 (2015) 10.1016/j.commatsci.2015.07.019 (standard) * * Toher et al. Phys. Rev. B 90, 174107 (2014) 10.1103/PhysRevB.90.174107 (AGL Gibbs) * * Taylor et al. Comp. Mat. Sci. 93, 178 (2014) 10.1016/j.commatsci.2014.05.014 (REST-API) * * Curtarolo et al. Comp. Mat. Sci. 58, 227 (2012) 10.1016/j.commatsci.2012.02.002 (AFLOW.org) * * Curtarolo et al. Comp. Mat. Sci. 58, 218 (2012) 10.1016/j.commatsci.2012.02.005 (aflow++) * * * **************************************************************************************************** * * * aflow/aflow.org - CONTRIBUTORS * * 2000-2019 Stefano Curtarolo (aflow); 2002-2004 Dane Morgan (convasp); 2007-2011 Wahyu Setyawan * * (--rsm --edos --kband --icsd*); 2008-2011 Roman Chepulskyy (--edos --kband surfaces); * * 2008 Gus Hart (lattice reductions - prototypes); 2009-2011, Ohad Levy (prototypes); * * 2009-2010, Michal Jahnatek (APL); 2010-2013 Shidong Wang (cluster expansion); 2010-2013 * * Richard Taylor (surfaces, apennsy); 2010-2013 Junkai Xue (prototyper); 2010-2013 Kesong Yang * * (findsym, frozsl, plotband/dos); 2013-2019 Cormac Toher (AGL Debye-Gruneisen, AEL elastic); * * 2013-2019 Frisco Rose (API, Aflux); 2013-2018 Pinku Nath (Quasi-harmonic approximation); * * 2013-2017 Jose J. Plata (AAPL, thermal cond.); 2014-2023 David Hicks (symmetry, structure * * comparison, prototypes); 2014-2022 Corey Oses (Egap, bader, chull, APL, pocc); 2018-2022 Marco * * Esters (AAPL, thermal cond.); 2016-2019 Denise Ford (GFA); 2018-2020 Rico Friedrich (CCE); * * 2021-2023 Simon Divilov (QCA, fitting); 2021-2023 Hagen Eckert (GFA, entry loader, JSON); * **************************************************************************************************** * version 3.2.14 - (C) 2003-2023 * ****************************************************************************************************