mirror of
https://github.com/triqs/dft_tools
synced 2024-11-09 07:33:47 +01:00
1c29776727
* Committing missing files of last commit
* Correcting typos
* Modifications according to issue #56
43 lines
2.5 KiB
ReStructuredText
43 lines
2.5 KiB
ReStructuredText
License
|
|
=======
|
|
|
|
The dft_tools package is published under the
|
|
`GNU General Public License, version 3 <http://www.gnu.org/licenses/gpl.html>`_.
|
|
|
|
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 [#dft_tools1]_. This has been followed by the introduction
|
|
of full charge self-consistency [#dft_tools2]_, necessary for total energy
|
|
calculations. The package at hand is fully implemented as an application
|
|
based on the TRIQS library [#dft_tools3]_.
|
|
|
|
**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**:
|
|
|
|
.. [#dft_tools1] `M. Aichhorn, L. Pourovskii, V. Vildosola, M. Ferrero, O. Parcollet, T. Miyake, A. Georges, and S. Biermann, Phys. Rev. B 80, 085101 (2009) <http://link.aps.org/doi/10.1103/PhysRevB.80.085101>`_ (:download:`bibtex file <dft_tools1.bib>`)
|
|
.. [#dft_tools2] `M. Aichhorn, L. Pourovskii, and A. Georges, Phys. Rev. B 84, 054529 (2011) <http://link.aps.org/doi/10.1103/PhysRevB.84.054529>`_ (:download:`bibtex file <dft_tools2.bib>`)
|
|
.. [#dft_tools3] `M. Aichhorn, L. Pourovskii, P.Seth, V. Vildosola, M. Zingl, O. E. Peil, X. Deng, J. Marvlje, G. Kraberger, C. Martins, M. Ferrero, and O. Parcollet, Commt. Phys. Commun. 204, 200 (2016) <http://www.sciencedirect.com/science/article/pii/S0010465516300728>`_ (:download:`bibtex file <dft_tools3.bib>`)
|
|
|
|
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.
|