DFT calculations of solids with LAPW and WIEN2k

Journal of Solid State Chemistry

Volumn 176, Issue 2, 2003, Pages 319-328

  Schwarz, Karlheinz ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

DFT; Electronic structure; Energy bands; LAPW; WIEN2k

Indexed keywords

BOUNDARY CONDITIONS; CODES (SYMBOLS); ELECTRONIC STRUCTURE; ELECTRONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

LINEARIZED-AUGMENTED-PLANE-WAVE (LAPW) METHOD;

SINGLE CRYSTALS;

ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; COMPUTER PROGRAM; DENSITY; ELECTRONICS; MEDICAL LITERATURE; PHASE TRANSITION; QUANTUM MECHANICS; SOLID; TEMPERATURE; THEORETICAL STUDY;

EID: 0344441395     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-4596(03)00213-5     Document Type: Article

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