Order-N first-principles calculations with the conquest code

Computer Physics Communications

Volumn 177, Issue 1-2 SPEC. ISS., 2007, Pages 14-18

  Gillan, M J ^a   Bowler, D R ^a   Torralba, A S ^a   Miyazaki, T ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

Condensed matter; Electronic structure; First principle

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GERMANIUM; SILICON COMPOUNDS; STRUCTURAL RELAXATION;

CONDENSED MATTER; CONQUEST CODE; FIRST PRINCIPLE; PHYSICAL SYSTEMS;

ENCODING (SYMBOLS);

EID: 34250674899     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.02.075     Document Type: Article

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