Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere(OnderzoeksCentrum voor de Aanwending van Staal), Matt Probert(University of York), José A. Flores‐Livas(Bruker (Switzerland)), Klaus Koepernik(Leibniz Institute for Solid State and Materials Research), Nicola Marzari(University of Cambridge), Damien Caliste(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), E. K. U. Gross(Hebrew University of Jerusalem), Lorenzo Paulatto(Scuola Internazionale Superiore di Studi Avanzati), Emine Küçükbenli(Istituto Officina dei Materiali), Chris J. Pickard(Tohoku University), Kevin F. Garrity(Yale University), F. Jollet(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Stefan Goedecker(University of Basel), Georg Kresse(University of Vienna), Paolo Giannozzi(University of Udine), Andrea Dal Corso(Scuola Internazionale Superiore di Studi Avanzati), Stefano de Gironcoli(Scuola Internazionale Superiore di Studi Avanzati), Ward Poelmans(University College Ghent), Gustav Bihlmayer(Forschungszentrum Jülich), Dominik B. Jochym(Rutherford Appleton Laboratory), D. R. Hamann(Rutgers, The State University of New Jersey), Taisuke Ozaki(Institute for Solid State Physics and Optics), Stefan Blügel(Forschungszentrum Jülich), Luigi Genovese(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Martijn Marsman(University of Vienna), Ivano E. Castelli(University of Copenhagen), Marcin Dułak(Technical University of Denmark), Volker Blüm(Duke University), Diana Iuşan(Uppsala University), Claudia Draxl(Humboldt-Universität zu Berlin), P. J. Hasnip(University of York), Inka L. M. Locht(Uppsala University), François Gygi(University of California System), Igor Di Marco(Uppsala University), S. Lübeck(Humboldt-Universität zu Berlin), Daniel R. Jones(University of Oxford), N. A. W. Holzwarth(Wake Forest University), Olle Eriksson(Uppsala University), Matteo Giantomassi(UCLouvain), Xavier Gonze(UCLouvain), Ulrike Nitzsche(Leibniz Institute for Solid State and Materials Research), J. K. Dewhurst(Max Planck Institute of Microstructure Physics), Lars Nordström(Uppsala University), Andris Guļāns(Fritz Haber Institute of the Max Planck Society), Stewart J. Clark(Durham University), Peter Blaha(TU Wien), Y. O. Kvashnin(Uppsala University), Thierry Deutsch(Commissariat à l'Énergie Atomique et aux Énergies Alternatives), Oscar Grånäs(Uppsala University), Torbjörn Björkman(Åbo Akademi University)
Science
March 24, 2016
Cited by 1,621


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