mirror of https://github.com/triqs/dft_tools
27 lines
811 B
ReStructuredText
27 lines
811 B
ReStructuredText
.. index:: DFTTools
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.. module:: pytriqs.applications.dft
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.. _dft:
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DFTTools
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========
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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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Learn how to use this package in the :ref:`documentation`.
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.. toctree::
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:maxdepth: 2
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