Metals at finite temperature: A modified smearing scheme

Computational Materials Science

Volumn 30, Issue 1-2 SPEC ISS., 2004, Pages 27-33

  Verstraete, Matthieu ^a   Gonze, Xavier ^a  

^a UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC CHARGE; ENTROPY; FREE ENERGY; GROUND STATE; LATTICE CONSTANTS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

BORN OPPENHEIMER FORCES; BRILLOUIN ZONES; DENSITY FUNCTIONAL THEORY (DFT); ELECTRONIC WAVEVECTORS;

MATERIALS SCIENCE;

EID: 1942484934     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.01.006     Document Type: Conference Paper

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