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arXiv · 1004.3934

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

Jan Kunes·Ryotaro Arita·Philipp Wissgott·Alessandro Toschi·Hiroaki Ikeda·Karsten Held
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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 SrVO$_3$, Sr$_2$IrO$_4$ (including spin-orbit coupling), LaFeAsO, and FeSb$_2$.

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Jan Kunes, Ryotaro Arita, Philipp Wissgott, Alessandro Toschi, Hiroaki Ikeda, Karsten Held. 2010-04-22. Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions. https://doi.org/10.1016/j.cpc.2010.08.005

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