Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
We present an implementation of an 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, Sr2IrO4 (including spinorbit coupling), LaFeAsO, and FeSb2.
augmented plane waves wannier functions wien2k wannier90 electronic structure density functional theory