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$_2$.
تحميل البحث