Optimization algorithm for the generation of ONCV pseudopotentials

Computer Physics Communications

Volumn 196, Issue , 2015, Pages 36-44

  Schlipf, Martin ^a   Gygi, François ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

All electron calculation; Condensed matter; Density functional theory; Plane wave; Pseudopotential

Indexed keywords

ELASTIC WAVES; OPTIMIZATION; WAVE ENERGY CONVERSION; WAVE PROPAGATION;

CONDENSED MATTER; INPUT PARAMETER; OPTIMIZATION ALGORITHMS; PERIODIC TABLE; PLANE WAVE; PSEUDOPOTENTIAL CALCULATION; PSEUDOPOTENTIALS; TRAINING SETS;

DENSITY FUNCTIONAL THEORY;

EID: 84942196718     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2015.05.011     Document Type: Article

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