Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
arXiv:1004.3934 · doi:10.1016/j.cpc.2010.08.005
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$_2$.
15 pages, 9 figures