Electronic structure packages: Two implementations of the projector augmented wave (PAW) formalism

Computer Physics Communications

Volumn 181, Issue 11, 2010, Pages 1862-1867

  Torrent, Marc ^a   Holzwarth, N A W ^b   Jollet, François ^a   Harris, David ^b   Lepley, Nicholas ^b   Xu, Xiao ^b  

^a DIF   (France)

^b WAKE FOREST UNIVERSITY   (United States)

Author keywords

Projector Augmented Wave (PAW) Electronic structure codes

Indexed keywords

ELECTRONIC STRUCTURE CALCULATIONS; PROJECTOR AUGMENTED WAVE (PAW) ELECTRONIC STRUCTURE CODES; PROJECTOR AUGMENTED WAVES; PSEUDOPOTENTIALS;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 77956265142     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2010.07.036     Document Type: Article

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