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

2010/04/22 by Jan Kunes, Ryotaro Arita, Philipp Wissgott +3 · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1016/j.cpc.2010.08.005

15 pages, 9 figures

arxiv created 2010/04/22 · arxiv updated 2015/05/18

Abstract

We present an implementaion of interface between the full-potential linearized augmented plane wave package Wien2k and the wannier90 code for the construction of maximally localized Wannier functions. The FORTRAN code and a documentation is made available and results are discussed for SrVO₃, Sr₂IrO₄ (including spin-orbit coupling), LaFeAsO, and FeSb₂.

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