Relaxation of Crystals with the Quasi-Newton Method

Journal of Computational Physics

Volumn 131, Issue 1, 1997, Pages 233-240

  Pfrommer, Bernd G ^a,b   Côté, Michel ^a,b   Louie, Steven G ^a,b   Cohen, Marvin L ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INVERSE PROBLEMS; NEWTON-RAPHSON METHOD;

BRILLOUIN ZONES; CRYSTALS STRUCTURES; ELASTIC PROPERTIES; HESSIAN MATRICES; INTERNAL COORDINATES; OPTICAL PHONON FREQUENCIES; QUASI-NEWTON METHODS; TEST SYSTEMS;

CRYSTAL SYMMETRY;

EID: 0001485073     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.1996.5612     Document Type: Article

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