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new welcome page

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aichhorn 2015-08-11 13:48:39 +02:00
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DFT Tools DFT Tools
========= =========
This application is aimed at DMFT calculations with This :ref:`TRIQS-based <triqslibs:welcome>`-based application is aimed
realistic band structure calculations. at ab-initio calculations for
A priori TRIQS can be connected to various realistic band structure codes. correlated materials, combining realistic DFT band-structure
In this release, we provide the dft_tools extension module which contains an calculations with the dynamical mean-field theory. Together with the
interface to the necessary tools to perform the DMFT self-consistency loop for
realistic multi-band problems, the package provides a full-fledged
charge self-consistent interface to the `WIEN2K package
<http://www.wien2k.at>`_. In addition, if Wien2k is not available, it
provides a generic interface for one-shot DFT+DMFT calculations, where
only the single-particle Hamiltonian in orbital space has to be
provided.
* `WIEN2K package <http://www.wien2k.at>`_. Learn how to use this package in the :ref:`documentation`.
* A general Hamiltonian H(k)
* FLEUR (in progress..)
* VASP? (in progress..) .. toctree::
* Wannier90? (in progress..) :maxdepth: 2