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

Journal of Physics Condensed Matter

Volumn 22, Issue 25, 2010, Pages

  Enkovaara, J ^a   Rostgaard, C ^b   Mortensen, J J ^b   Chen, J ^b   Dulak M ^b   Ferrighi, L ^c   Gavnholt, J ^b   Glinsvad, C ^b   Haikola, V ^d   Hansen, H A ^b   Kristoffersen, H H ^c   Kuisma, M ^e   Larsen, A H ^b   Lehtovaara, L ^d   Ljungberg, M ^f   Lopez Acevedo, O ^g   Moses, P G ^b   Ojanen, J ^e   Olsen, T ^b   Petzold, V ^b   Romero, N A ^h   Stausholm Moller J ^c   Strange, M ^b   Tritsaris, G A ^b   Vanin, M ^b   Walter, M ⁱ   Hammer, B ^c   Hakkinen H ^g   Madsen, G K H ^j   Nieminen, R M ^d   Norskov J K ^b   Puska, M ^d   Rantala, T T ^e   Schiotz J ^b   Thygesen, K S ^b   Jacobsen, K W ^b   more..

^a IT Center for Science   (Finland)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^c AARHUS UNIVERSITY   (Denmark)

^d AALTO UNIVERSITY   (Finland)

^e TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^f STOCKHOLM UNIVERSITY   (Sweden)

^g UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^h ARGONNE NATIONAL LABORATORY   (United States)

ⁱ UNIVERSITY OF FREIBURG   (Germany)

^j RUHR UNIVERSITY BOCHUM   (Germany)

more..

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC BASIS SET; ATOMIC-ORBITAL BASIS; BASIS SETS; BIAS CONDITIONS; COMPUTATIONAL SCALABILITY; CONVERGENCE PROPERTIES; ELECTRON TRANSPORT; ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC WAVE FUNCTIONS; EXCHANGE-CORRELATION FUNCTIONALS; GROUND STATE PROPERTIES; INDISPENSABLE TOOLS; KOHN-SHAM FORMULATION; LINEAR RESPONSE; MANY-BODY PROBLEMS; NON-EQUILIBRIUM GREEN FUNCTIONS; NUMERICAL CHALLENGES; PARALLELIZATIONS; PLANE WAVE; PROGRAM PACKAGES; REAL-SPACE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME PROPAGATION; UNIQUE FEATURES; WANNIER ORBITALS; WAVE METHOD; X-RAY ABSORPTION SPECTRUM;

ELECTRIC EXCITATION; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SOFTWARE PACKAGES; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77953748283     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/25/253202     Document Type: Review

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