[Wien] WIEN2WANNIER

[Peter Blaha]

Dear wien2k users,

I'm glad to announce a new package in the family of wien2k utility programs:

WIEN2WANNIER from J.Kunes and P.Wissgott

Its capability is to prepare the input files for wannier90, a program to
produce maximally localized Wannier functions.

Some features you can access (starting from a standard wien2k computation):
1) compute hopping parameters from one Wannier orbital to the other
(e.g. for tight-binding models)
2) plot Wannier orbitals conveniently with xcrysden
3) produce the Hamiltonian in the Wannier basis(e.g. for DMFT calculations)
4) fat-band plots in the basis of Wannier orbitals
5) compute Wannier functions for spin-polarized, spin-orbit and LDA+U
calculations(or combinations thereof)
6) use other wannier90 functionalities, such as producing bandstructures
for different hopping cut-offs in real space

The workflow wien2k->wien2wannier->wannier90 is simplified by utility
scripts and a userguide which are included in the download from

http://www.wien2k.at/reg_user/unsupported/wien2wannier/


For a detailed description please take a look at

J. KUNES , R. ARITA , P. WISSGOTT, A.TOSCHI , H. IKEDA , K. HELD
Wien2wannier: From linearized augmented plane waves to maximally
localized Wannier functions,
Comp. Phys. Commun. 181, 1888 (2010).

Please report bugs, anomalies or remarks.

Best regards,

Philipp Wissgott
Institute for Solid State Physics, TU Vienna
email: wissgott at ifp.tuwien.ac.at