[Wannier] woptic: optical conductivity from Wien2k+many-body calculations

[Elias Assmann]

Dear Wannier90 users!

For those on the list who use Wien2k, I am happy to announce the
release of *woptic* <http://woptic.github.io>, a package to calculate
the optical conductivity, dc conductivity, and thermopower in the
Wien2k+Wannier90 ecosystem.

Woptic builds upon the optic and wien2wannier modules of Wien2k,
combined with Wannier90 and (optionally) an external many-body
calculation, to work with the dipole matrix elements from optic in a
basis of maximally-localized Wannier functions.

Interesting features include:

 * woptic can incorporate a local self-energy Σ(ω) from a many-body
   calculation such as dynamical mean-field theory (DMFT)

 * it employs an adaptive k-integration scheme to sample the Brillouin
   zone efficiently

 * it uses the full dipole matrix elements, rotated to the Wannier
   basis

 * transitions beyond the Wannier orbitals can be included in an
   “outer window”.


For more information, and to download the code, visit
<http://woptic.github.io>.

Since the code is still new, feedback is especially welcome, either
through the GitHub page <https://github.com/woptic/woptic>, or by
e-mail.

For the theory behind woptic and a description of the algorithm see
the preprint

  woptic: optical conductivity with Wannier functions
  and adaptive k-mesh refinement

  E. Assmann, P. Wissgott, J. Kuneš, A. Toschi, P. Blaha, K. Held
  <http://arxiv.org/abs/1507.04881>


Note: Long-time users of wien2wannier may know woptic as a part of
early releases of that package.  Since then, it has been much expanded
and updated to work with the current version of wien2wannier.


	    Elias Assmann
	for the woptic authors

-- 
Elias Assmann
Institute of Theoretical and Computational Physics
TU Graz                   ⟨https://itp.tugraz.at/⟩