Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
Preprint
- 22 April 2010
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$_2$.All Related Versions
- Version 1, 2010-04-22, ArXiv
- Published version: Computer Physics Communications, 181 (11), 1888.