Maximally localized Wannier functions for simulations with supercells of general symmetry

Authors
Silvestrelli, PL
Citation
Pl. Silvestrelli, Maximally localized Wannier functions for simulations with supercells of general symmetry, PHYS REV B, 59(15), 1999, pp. 9703-9706
Citations number
14
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
59
Issue
15
Year of publication
1999
Pages
9703 - 9706
Database
ISI
SICI code
0163-1829(19990415)59:15<9703:MLWFFS>2.0.ZU;2-X
Abstract
The maximally localized Wannier function method, in the version specificall y developed to study disordered and isolated systems with simple-cubic supe rcells, is generalized for applications with supercells of general symmetry . Analysis of the localized Wannier functions in the water molecule demonst rates the effectiveness of the new algorithm. [S0153-1829(99)01015-2].