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.. index:: DFTTools
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2018-05-01 11:55:31 +02:00
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.. module:: triqs_dft_tools
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2016-07-08 12:04:31 +02:00
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.. _dft:
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2016-07-08 12:04:31 +02:00
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DFTTools
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========
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2019-07-02 16:54:38 +02:00
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.. sidebar:: DFTTools 2.2
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2018-06-04 21:56:47 +02:00
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2019-07-02 16:54:38 +02:00
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This is the homepage DFTTools Version 2.2
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2018-09-20 06:32:33 +02:00
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For the changes in DFTTools, Cf :ref:`changelog page <changelog>`
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2015-08-11 13:48:39 +02:00
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This :ref:`TRIQS-based <triqslibs:welcome>`-based application is aimed
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at ab-initio calculations for
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correlated materials, combining realistic DFT band-structure
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calculations with the dynamical mean-field theory. Together with the
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necessary tools to perform the DMFT self-consistency loop for
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realistic multi-band problems, the package provides a full-fledged
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charge self-consistent interface to the `Wien2K package
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<http://www.wien2k.at>`_. In addition, if Wien2k is not available, it
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provides a generic interface for one-shot DFT+DMFT calculations, where
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only the single-particle Hamiltonian in orbital space has to be
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provided.
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2018-08-06 11:44:41 +02:00
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Learn how to use this package in the :ref:`documentation` and the :ref:`tutorials`.
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2015-08-11 13:48:39 +02:00
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.. toctree::
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:maxdepth: 2
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