Electronic structure calculations with GPAW: A real-space implementation of the projector augmented-wave method

Jussi Enkovaara, C. Rostgaard, J.J. Mortensen, Jingzhe Chen, M. Dulak, L. Ferrighi, J. Gavnholt, C. Glinsvad, V. Haikola, H.A. Hansen, H.H. Kristoffersen, Mikael Kuisma, A.H. Larsen, Lauri Lehtovaara, M. P. Ljungberg, O. Lopez-Acevedo, P.G. Moses, J. Ojanen, T. Olsen, V. PetzoldN.A. Romero, J. Stausholm, M. Strange, G.A . Tritsaris, M. Vanin, Michael Walter, B. Hammer, H. Häkkinen, G.K.H. Madsen, Risto M. Nieminen, J.K. Norskov, M. Puska, Tapio Rantala, J. Schiotz, K.S. Thygesen, K.W. Jacobsen

Research output: Contribution to journalReview Articlepeer-review

1200 Citations (Scopus)
Original languageEnglish
Article number253202
Pages (from-to)1-24
Number of pages24
JournalJournal of physics: Condensed matter
Volume22
Issue number25
DOIs
Publication statusPublished - 2010
MoE publication typeA2 Review article in a scientific journal

Keywords

  • Density-functional theory
  • Electronic structure calculations
  • Time-dependent density-functional theory

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