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

preprint2010arXivOpen access

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_3, Sr2_2IrO4_4 (including spin-orbit coupling), LaFeAsO, and FeSb2_2.

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