Thick-Restart Lanczos Method for Electronic Structure Calculations

Journal of Computational Physics

Volumn 154, Issue 1, 1999, Pages 156-173

  Wu, K ^a   Canning, A ^a   Simon, H D ^a   Wang, L W ^b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

Electronic structure calculation; Empirical pseudopotential method; Lanczos method; Thick restart scheme

Indexed keywords

EIGENVALUES AND EIGENFUNCTIONS;

EIGENVALUE PROBLEM; ELECTRONIC STRUCTURE CALCULATIONS; EMPIRICAL PSEUDOPOTENTIAL METHOD; LANCZOS' METHODS; PROBLEM SOLVERS; THICK-RESTART SCHEME;

ELECTRONIC STRUCTURE;

EID: 0004077894     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.1999.6306     Document Type: Article

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