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arxiv: 1004.3934 · v1 · pith:FDIL4JUKnew · submitted 2010-04-22 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

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

classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords augmentedcodefunctionslinearizedlocalizedmaximallyplanewannier
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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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