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

Materials Science 2015-05-18 v1 Strongly Correlated Electrons
Authors: 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 SrVO3_3, Sr2_2IrO4_4 (including spin-orbit coupling), LaFeAsO, and FeSb2_2.

Keywords

maximally localized wannier function linearized augmented plane wave wien2k wannier90 first-principles calculation electronic structure

Cite

@article{arxiv.1004.3934,
  title  = {Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions},
  author = {Jan Kunes and Ryotaro Arita and Philipp Wissgott and Alessandro Toschi and Hiroaki Ikeda and Karsten Held},
  journal= {arXiv preprint arXiv:1004.3934},
  year   = {2015}
}

Comments

15 pages, 9 figures

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