Open AccessAccurate lattice geometrical parameters and bulk moduli from a semilocal density functional
Author(s) -
Yuxiang Mo,
Hong Tang,
Arun Bansil,
Jianmin Tao
Publication year - 2018
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.5050241
Subject(s) - density functional theory , lattice constant , moduli , van der waals force , lattice (music) , bulk modulus , orbital free density functional theory , lattice energy , mean absolute error , materials science , hybrid functional , condensed matter physics , physics , crystal structure , quantum mechanics , mathematics , chemistry , molecule , mean squared error , crystallography , diffraction , acoustics , statistics
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