mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 20:12:53 +01:00
32 lines
969 B
ReStructuredText
32 lines
969 B
ReStructuredText
.. index:: DFTTools
|
|
|
|
.. module:: triqs_dft_tools
|
|
|
|
.. _dft:
|
|
|
|
DFTTools
|
|
========
|
|
|
|
.. sidebar:: DFTTools 2.1
|
|
|
|
This is the homepage DFTTools Version 2.1
|
|
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` and the :ref:`tutorials`.
|
|
|
|
|
|
.. toctree::
|
|
:maxdepth: 2
|