mirror of
https://github.com/triqs/dft_tools
synced 2024-11-09 07:33:47 +01:00
8dc42b08ae
* restructuring * added user reference * started working on user guide * added schematic to structure
20 lines
602 B
ReStructuredText
20 lines
602 B
ReStructuredText
.. _orbital_construction:
|
|
|
|
Orbital construction
|
|
====================
|
|
|
|
.. warning::
|
|
TO BE UPDATED!
|
|
|
|
dmftproj
|
|
--------
|
|
|
|
The dft_tools package comes with a converter to use `Wien2k <http://www.wien2k.at>`_ band structure calculations as input for the DMFT part of the calculation, through the construction of projective Wannier functions. The first step is done by the program :program:`dmftproj`, producing text output files. In the second step, this ouput is read and converted into the hdf5 format, using the python module :class:`Wien2kConverter`.
|
|
|
|
|
|
Wannier90
|
|
---------
|
|
|
|
.. warning::
|
|
IN PROGRESS!
|