Reproducibility in density functional theory calculations of solids. / Lejaeghere, Kurt; Bihlmayer, Gustav; Bjorkman, T.; Blaha, Peter; Blugel, S.; Blum, Volker; Caliste, Damien; Castelli, Ivano E; Clark, Stewart J; Dal Corso, A.; de Gironcoli, S.; Deutsch, T.; Dewhurst, John Kay; Di Marco, I.; Draxl, Claudia; Dułak, M.; Eriksson, Olle; Flores-Livas, J. A.; Garrity, Kevin F; Genovese, Luigi; Giannozzi, Paolo; Giantomassi, Matteo; Goedecker, Stefan; Gonze, Xavier; Granas, O.; Gross, E. K. U.; Gulans, A.; Gygi, F.; Hamann, D R; Hasnip, Phil J; Holzwarth, N A W; Iuşan, D.; Jochym, Dominik B; Jollet, F.; Jones, Daniel; Kresse, Georg; Koepernik, Klaus; Kucukbenli, E.; Kvashnin, Y. O.; Locht, Inka L M; Lubeck, Sven; Marsman, Martijn; Marzari, Nicola; Nitzsche, Ulrike; Nordstrom, L.; Ozaki, Taisuke; Paulatto, Lorenzo; Pickard, Chris J; Poelmans, Ward; Probert, M. I. J.; Refson, K.; Richter, M.; Rignanese, G.-M.; Saha, S.; Scheffler, M.; Schlipf, M.; Schwarz, K.; Sharma, S.; Tavazza, F.; Thunstrom, P.; Tkatchenko, A.; Torrent, M.; Vanderbilt, D.; van Setten, M. J.; Van Speybroeck, V.; Wills, J. M.; Yates, J. R.; Zhang, G.-X.; Cottenier, S.

In: Science, Vol. 351, No. 6280, aad3000, 25.03.2016.

Research output: Contribution to journalArticle

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  • Kurt Lejaeghere
  • Gustav Bihlmayer
  • T. Bjorkman
  • Peter Blaha
  • S. Blugel
  • Volker Blum
  • Damien Caliste
  • Ivano E Castelli
  • Stewart J Clark
  • A. Dal Corso
  • S. de Gironcoli
  • T. Deutsch
  • John Kay Dewhurst
  • I. Di Marco
  • Claudia Draxl
  • M. Dułak
  • Olle Eriksson
  • J. A. Flores-Livas
  • Kevin F Garrity
  • Luigi Genovese
  • Paolo Giannozzi
  • Matteo Giantomassi
  • Stefan Goedecker
  • Xavier Gonze
  • O. Granas
  • E. K. U. Gross
  • A. Gulans
  • F. Gygi
  • D R Hamann
  • Phil J Hasnip
  • N A W Holzwarth
  • D. Iuşan
  • Dominik B Jochym
  • F. Jollet
  • Daniel Jones
  • Georg Kresse
  • Klaus Koepernik
  • E. Kucukbenli
  • Y. O. Kvashnin
  • Inka L M Locht
  • Sven Lubeck
  • Martijn Marsman
  • Nicola Marzari
  • Ulrike Nitzsche
  • L. Nordstrom
  • Taisuke Ozaki
  • Lorenzo Paulatto
  • Chris J Pickard
  • Ward Poelmans
  • M. I. J. Probert
  • M. Richter
  • G.-M. Rignanese
  • S. Saha
  • M. Scheffler
  • M. Schlipf
  • K. Schwarz
  • S. Sharma
  • F. Tavazza
  • P. Thunstrom
  • A. Tkatchenko
  • M. Torrent
  • D. Vanderbilt
  • M. J. van Setten
  • V. Van Speybroeck
  • J. M. Wills
  • J. R. Yates
  • G.-X. Zhang
  • S. Cottenier
Original languageEnglish
Article numberaad3000
Number of pages8
JournalScience
Volume351
Issue number6280
DOIs
Publication statusPublished - 25 Mar 2016
This open access research output is licenced under a Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported License.

ID: 26250777