2018-05-01 11:55:31 +02:00
|
|
|
.. module:: triqs_dft_tools
|
2013-09-01 17:56:17 +02:00
|
|
|
|
|
|
|
.. _documentation:
|
|
|
|
|
|
|
|
Documentation
|
|
|
|
=============
|
|
|
|
|
2015-03-12 00:01:12 +01:00
|
|
|
Basic notions
|
|
|
|
-------------
|
|
|
|
|
|
|
|
.. toctree::
|
2022-03-01 23:51:39 +01:00
|
|
|
:maxdepth: 1
|
2015-03-12 00:01:12 +01:00
|
|
|
|
2016-07-08 12:04:31 +02:00
|
|
|
basicnotions/first
|
2015-03-12 00:01:12 +01:00
|
|
|
basicnotions/dft_dmft
|
|
|
|
basicnotions/structure
|
|
|
|
|
|
|
|
|
2018-08-06 11:44:41 +02:00
|
|
|
Construction of local orbitals from DFT
|
|
|
|
---------------------------------------
|
2013-09-01 17:56:17 +02:00
|
|
|
|
|
|
|
.. toctree::
|
2015-03-12 00:01:12 +01:00
|
|
|
:maxdepth: 2
|
|
|
|
|
|
|
|
guide/conversion
|
2022-03-01 23:51:39 +01:00
|
|
|
h5structure
|
2018-08-06 11:44:41 +02:00
|
|
|
|
|
|
|
|
|
|
|
DFT+DMFT
|
|
|
|
--------
|
|
|
|
|
|
|
|
.. toctree::
|
|
|
|
:maxdepth: 2
|
|
|
|
|
2015-03-12 00:01:12 +01:00
|
|
|
guide/dftdmft_singleshot
|
|
|
|
guide/dftdmft_selfcons
|
2020-02-24 15:42:28 +01:00
|
|
|
|
|
|
|
Advanced Topics
|
|
|
|
---------------
|
|
|
|
|
|
|
|
.. toctree::
|
2022-03-01 23:51:39 +01:00
|
|
|
:maxdepth: 1
|
2020-02-24 15:42:28 +01:00
|
|
|
|
2020-02-26 14:06:01 +01:00
|
|
|
guide/blockstructure
|
2020-02-24 15:59:28 +01:00
|
|
|
guide/BasisRotation
|
2020-02-24 15:42:28 +01:00
|
|
|
guide/soc
|
2018-08-06 11:44:41 +02:00
|
|
|
|
|
|
|
Postprocessing
|
|
|
|
--------------
|
|
|
|
|
|
|
|
.. toctree::
|
2022-03-01 23:51:39 +01:00
|
|
|
:maxdepth: 1
|
2018-08-06 11:44:41 +02:00
|
|
|
|
2015-08-14 13:53:40 +02:00
|
|
|
guide/analysis
|
2015-03-12 00:01:12 +01:00
|
|
|
guide/transport
|
|
|
|
|
2013-09-01 17:56:17 +02:00
|
|
|
|
2014-10-28 09:34:34 +01:00
|
|
|
Reference manual
|
|
|
|
----------------
|
|
|
|
|
|
|
|
This is the reference manual for the python routines.
|
|
|
|
|
2022-03-01 23:51:39 +01:00
|
|
|
.. autosummary::
|
|
|
|
:recursive:
|
|
|
|
:toctree: _python_api
|
|
|
|
:template: autosummary_module_template.rst
|
|
|
|
|
|
|
|
block_structure
|
|
|
|
converters
|
|
|
|
sumk_dft
|
|
|
|
sumk_dft_tools
|
|
|
|
symmetry
|
|
|
|
trans_basis
|
2023-09-03 11:24:56 +02:00
|
|
|
util
|
2014-10-28 09:34:34 +01:00
|
|
|
|
2015-03-12 00:01:12 +01:00
|
|
|
|
2014-10-28 09:34:34 +01:00
|
|
|
|
2015-03-12 00:01:12 +01:00
|
|
|
FAQs
|
|
|
|
----
|
|
|
|
|
|
|
|
.. toctree::
|
|
|
|
:maxdepth: 2
|
2014-10-28 09:34:34 +01:00
|
|
|
|
2015-03-12 00:01:12 +01:00
|
|
|
faqs/faqs
|