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mirror of https://github.com/triqs/dft_tools synced 2024-12-23 12:55:17 +01:00
dft_tools/doc/index.rst
Manuel dfa10dffda [doc] Modifications and corrections
* Adapt the AC parts to the new TRIQS/maxent package
	* Restructure the explaination on how to run the scripts
	* Corrections of many typos and pytriqs occurences.
2018-09-20 00:32:33 -04:00

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.. index:: DFTTools
.. module:: triqs_dft_tools
.. _dft:
DFTTools
========
.. sidebar:: DFTTools 1.5
This is the homepage DFTTools Version 1.5
For the changes in DFTTools, Cf :ref:`changelog page <changelog>`
This :ref:`TRIQS-based <triqslibs:welcome>`-based application is aimed
at ab-initio calculations for
correlated materials, combining realistic DFT band-structure
calculations with the dynamical mean-field theory. Together with 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.
Learn how to use this package in the :ref:`documentation`.
.. toctree::
:maxdepth: 2