Počet záznamů: 1

Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions

  1. 1.
    0352706 - FZU-D 2011 RIV NL eng J - Článek v odborném periodiku
    Kuneš, Jan - Arita, R. - Wissgott, Ph. - Toschi, A. - Ikeda, H. - Held, K.
    Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions.
    Computer Physics Communications. Roč. 181, č. 11 (2010), s. 1888-1895 ISSN 0010-4655
    Výzkumný záměr: CEZ:AV0Z10100521
    Klíčová slova: Wannier function * spin-orbit couping
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 2.300, rok: 2010

    New software package is introduced for construction of Wannier function from the band structures obtained with wien2k code. The code and accessories serve as link between wien2k and wannier90 packages. Applications to several materials with increasing degree of complexity are presented. Notably, the code can be applied for construction of Wannier functions in systems with spin-orbit coupling.
    Trvalý link: http://hdl.handle.net/11104/0192157