License¶
The dft_tools package is published under the GNU General Public License, version 3.
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 [1]. This has been followed by the introduction of full charge self-consistency [2], necessary for total energy calculations. The package at hand is fully implemented as an application based on the TRIQS library [3].
Developers: M. Aichhorn, L. Pourovskii, P.Seth, V. Vildosola, M. Zingl, O. E. Peil, X. Deng, J. Mravlje, G. Kraberger, C. Martins, M. Ferrero, O. Parcollet
Related papers:
| [1] | M. Aichhorn, L. Pourovskii, V. Vildosola, M. Ferrero, O. Parcollet, T. Miyake, A. Georges, and S. Biermann, Phys. Rev. B 80, 085101 (2009) (bibtex file) |
| [2] | M. Aichhorn, L. Pourovskii, and A. Georges, Phys. Rev. B 84, 054529 (2011) (bibtex file) |
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.
Disclaimer¶
The program is provided as is, i.e. WITHOUT ANY WARRANTY of any kind, as stated in the license. In particular, its authors and contributors will take no responsability for any possible bugs or any improper use of these programs, including those resulting in incorrect scientific publications.