[Wannier] Tight binding band structures based on ab-initio-derived hopping parameters

[Kiss, Ioan]

Dear Wannier90 users and developers,

I am a novice user of the wannier package (just started working trough the examples),
and I have a question which sound probably trivial and naive to most of you.
Namely, I have seen that one can print the seedname_hr.dat file,
but I could not figure out whether there is already a code available
in the Wannier90 or in the Quantum-Espresso package which can directly
use this file to create ab-initio-derived tight binding models for
band structure calculations.
What I mean by this is that by using the Wannier90 package or the
Quntum-Espresso package how can one use these hopping parameters
computed for small systems based on ab-initio calculations to evaluate
the band structure of similar but large arbitrary extended systems
just like the philosophy of the work published by
Lee et al. PRL 95, 076804 (2005) and
Cantele et al. Nano Letters Vol. 9, No. 10 3425 (2009).
So far the only thing what I could find (at least in the Quantum-Espresso
repository) are the wannier_ham.f90 and related routines, but as far as
I see this is meant to be used together with DMFT. Does this mean that
one has to program for himself the tight-binding part for each particular
system of interest, or there are already such codes readily available?
In case if Wannier90 is able to do this, than I have really overlooked
this feature, but in that case could you please give a short description
of what are the steps between to perform such tasks with Wannier90.

I would like to thank you in advance for any helpful comment.

Best regards,
Janos Kiss.

==========================================
  Dr. Janos Kiss      e-mail: kissi at uni-mainz.de
  Johannes Gutenberg-Universitaet
  Institut f. Anorg. u. Analyt. Chemie
  AK Prof. Dr. Claudia Felser
  Staudinger Weg 9 / Raum 01-230
  55128 Mainz/ Germany
  Phone: +49-(0)6131-39-22703
  Fax:     +49-(0)6131-39-26267
  Web:     http://www.superconductivity.de/
 =========================================