mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 04:13:47 +01:00
new welcome page
This commit is contained in:
parent
929b459681
commit
c2e45b468c
@ -7,14 +7,20 @@
|
||||
DFT Tools
|
||||
=========
|
||||
|
||||
This application is aimed at DMFT calculations with
|
||||
realistic band structure calculations.
|
||||
A priori TRIQS can be connected to various realistic band structure codes.
|
||||
In this release, we provide the dft_tools extension module which contains an
|
||||
interface to the
|
||||
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.
|
||||
|
||||
* `WIEN2K package <http://www.wien2k.at>`_.
|
||||
* A general Hamiltonian H(k)
|
||||
* FLEUR (in progress..)
|
||||
* VASP? (in progress..)
|
||||
* Wannier90? (in progress..)
|
||||
Learn how to use this package in the :ref:`documentation`.
|
||||
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
|
Loading…
Reference in New Issue
Block a user