Authors & Quotation
The developement of an interface between the Wien2k electronic structure
package and TRIQS has been motivated by a scientific collaboration between the
research groups of Antoine Georges, Silke Biermann (Ecole Polytechnique),
Olivier Parcollet (CEA Saclay). A first step has been the definition of the
framework and the construction of the projective Wannier functions as input for
the DMFT calculations . This has been followed by the introduction
of full charge self-consistency , necessary for total energy
calculations. The package at hand is fully implemented as an application
based on the TRIQS library .
Developers: M. Aichhorn, L. Pourovskii, A. Hampel, P.Seth, V. Vildosola, M. Zingl, O. E. Peil, X. Deng, J. Mravlje, G. Kraberger, A. James, C. Martins, M. Ferrero, O. Parcollet
Related papers:
This application is a part of our scientific work and we would appreciate if
projects using it will include a citation to the above relevant papers. In
order to help you, we provide a BibTeX entry for each paper.
If you find the application useful, giving proper reference and citation is
indeed a simple way to help convincing funding sources that such projects are
useful for our community and should be supported.