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

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

doi:10.1088/0953-8984/22/25/253202

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

J. Enkovaara
, C. Rostgaard
, J.J. Mortensen
, J. Chen
, M. Dulak
, L. Ferrighi
, J. Gavnholt
, C. Glinsvad
, V. Haikola
, H.A. Hansen
, H.H. Kristoffersen
, Mikael Kuisma
, A.H. Larsen
, L. Lehtovaara
, M. Ljungber
, O. Lopez-Acevedo
, P.G. Moses
, Jussi Ojanen
, T. Olsen
, V. Petzold

N.A. Romero, J. Stausholm-Moller, M. Strange, G.A. Tritsaris, M. Vanin, M. Walter, B. Hammer, H. Häkkinen, G.K.H. Madsen, R.M. Nieminen, J.K. Norskov, M. Puska, Tapio Rantala, J. Schiotz, K.S. Thygesen, K.W. Jacobsen

Research output: Contribution to journal › Article › Scientific › peer-review

2098 Citations (Scopus)

Translated title of the contribution	Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
Original language	English
Pages (from-to)	1-24
Number of pages	24
Journal	Journal of Physics Condensed Matter
Volume	22
Issue number	25, 253202
DOIs	https://doi.org/10.1088/0953-8984/22/25/253202
Publication status	Published - 2010
Publication type	A1 Journal article-refereed

Publication forum classification

Publication forum level 2

Access to Document

10.1088/0953-8984/22/25/253202

Cite this

Enkovaara, J., Rostgaard, C., Mortensen, J. J., Chen, J., Dulak, M., Ferrighi, L., Gavnholt, J., Glinsvad, C., Haikola, V., Hansen, H. A., Kristoffersen, H. H., Kuisma, M., Larsen, A. H., Lehtovaara, L., Ljungber, M., Lopez-Acevedo, O., Moses, P. G., Ojanen, J., Olsen, T., ... Jacobsen, K. W. (2010). Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method. Journal of Physics Condensed Matter, 22(25, 253202), 1-24. https://doi.org/10.1088/0953-8984/22/25/253202

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title = "Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method",

author = "J. Enkovaara and C. Rostgaard and J.J. Mortensen and J. Chen and M. Dulak and L. Ferrighi and J. Gavnholt and C. Glinsvad and V. Haikola and H.A. Hansen and H.H. Kristoffersen and Mikael Kuisma and A.H. Larsen and L. Lehtovaara and M. Ljungber and O. Lopez-Acevedo and P.G. Moses and Jussi Ojanen and T. Olsen and V. Petzold and N.A. Romero and J. Stausholm-Moller and M. Strange and G.A. Tritsaris and M. Vanin and M. Walter and B. Hammer and H. H{\"a}kkinen and G.K.H. Madsen and R.M. Nieminen and J.K. Norskov and M. Puska and Tapio Rantala and J. Schiotz and K.S. Thygesen and K.W. Jacobsen",

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doi = "10.1088/0953-8984/22/25/253202",

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Enkovaara, J, Rostgaard, C, Mortensen, JJ, Chen, J, Dulak, M, Ferrighi, L, Gavnholt, J, Glinsvad, C, Haikola, V, Hansen, HA, Kristoffersen, HH, Kuisma, M, Larsen, AH, Lehtovaara, L, Ljungber, M, Lopez-Acevedo, O, Moses, PG, Ojanen, J, Olsen, T, Petzold, V, Romero, NA, Stausholm-Moller, J, Strange, M, Tritsaris, GA, Vanin, M, Walter, M, Hammer, B, Häkkinen, H, Madsen, GKH, Nieminen, RM, Norskov, JK, Puska, M, Rantala, T, Schiotz, J, Thygesen, KS & Jacobsen, KW 2010, 'Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method', Journal of Physics Condensed Matter, vol. 22, no. 25, 253202, pp. 1-24. https://doi.org/10.1088/0953-8984/22/25/253202

TY - JOUR

T1 - Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

AU - Enkovaara, J.

AU - Rostgaard, C.

AU - Mortensen, J.J.

AU - Chen, J.

AU - Dulak, M.

AU - Ferrighi, L.

AU - Gavnholt, J.

AU - Glinsvad, C.

AU - Haikola, V.

AU - Hansen, H.A.

AU - Kristoffersen, H.H.

AU - Kuisma, Mikael

AU - Larsen, A.H.

AU - Lehtovaara, L.

AU - Ljungber, M.

AU - Lopez-Acevedo, O.

AU - Moses, P.G.

AU - Ojanen, Jussi

AU - Olsen, T.

AU - Petzold, V.

AU - Romero, N.A.

AU - Stausholm-Moller, J.

AU - Strange, M.

AU - Tritsaris, G.A.

AU - Vanin, M.

AU - Walter, M.

AU - Hammer, B.

AU - Häkkinen, H.

AU - Madsen, G.K.H.

AU - Nieminen, R.M.

AU - Norskov, J.K.

AU - Puska, M.

AU - Rantala, Tapio

AU - Schiotz, J.

AU - Thygesen, K.S.

AU - Jacobsen, K.W.

N1 - Contribution: organisation=fys,FACT1=1

PY - 2010

Y1 - 2010

U2 - 10.1088/0953-8984/22/25/253202

DO - 10.1088/0953-8984/22/25/253202

M3 - Article

SN - 0953-8984

VL - 22

SP - 1

EP - 24

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 25, 253202

ER -