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

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

2010-04-22

arxiv.org/abs/1004.3934v1

Physics

Condensed Matter

Materials Science

15 pages, 9 figures

Scientific paper

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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