Number of the records: 1
Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
- 1.0352706 - FZÚ 2011 RIV NL eng J - Journal Article
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. E-ISSN 1879-2944
Institutional research plan: CEZ:AV0Z10100521
Keywords : Wannier function * spin-orbit couping
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.300, year: 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.
Permanent Link: http://hdl.handle.net/11104/0192157
Number of the records: 1