mirror of
https://github.com/triqs/dft_tools
synced 2024-12-21 20:03:41 +01:00
[doc] Remove todos in doc
This commit is contained in:
parent
b14e802859
commit
d8488efd98
@ -19,7 +19,7 @@ extensions = ['sphinx.ext.autodoc',
|
||||
source_suffix = '.rst'
|
||||
|
||||
project = u'TRIQS DFTTools'
|
||||
copyright = u'2011-2013, M. Aichhorn, L. Pourovskii, V. Vildosola, C. Martins'
|
||||
copyright = u'2011-2019'
|
||||
version = '@DFT_TOOLS_VERSION@'
|
||||
|
||||
mathjax_path = "@TRIQS_MATHJAX_PATH@/MathJax.js?config=default"
|
||||
|
@ -14,42 +14,6 @@ A simple example: SrVO3
|
||||
tutorials/srvo3
|
||||
|
||||
|
||||
FeSe
|
||||
----
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
|
||||
tutorials/fese
|
||||
|
||||
|
||||
Magnetism: SrMnO3
|
||||
-----------------
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
|
||||
tutorials/srmno3
|
||||
|
||||
|
||||
Offdiagonals: LaTiO3
|
||||
--------------------
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
|
||||
tutorials/latio3
|
||||
|
||||
|
||||
Spin-orbit coupling: Sr2RuO4
|
||||
----------------------------
|
||||
|
||||
.. toctree::
|
||||
:maxdepth: 2
|
||||
|
||||
tutorials/sr2ruo4_soc
|
||||
|
||||
|
||||
Full charge self consistency with Wien2k: :math:`\gamma`-Ce
|
||||
-----------------------------------------------------------
|
||||
|
||||
|
@ -1,8 +0,0 @@
|
||||
.. _FeSe:
|
||||
|
||||
FeSe
|
||||
====
|
||||
|
||||
|
||||
Discuss 5-orbital setup.
|
||||
|
@ -1,7 +0,0 @@
|
||||
.. _LaTiO3:
|
||||
|
||||
LaTiO3
|
||||
======
|
||||
|
||||
Discuss Off-diagonals, rotation of basis.
|
||||
|
@ -1,7 +0,0 @@
|
||||
.. _Sr2RuO4:
|
||||
|
||||
Sr2RuO4
|
||||
=======
|
||||
|
||||
Discuss addign SOC by hand to t2gs.
|
||||
|
@ -1,7 +0,0 @@
|
||||
.. _SrMnO3:
|
||||
|
||||
SrMnO3
|
||||
======
|
||||
|
||||
Discuss Magnetism, setup with flipping spins and so on.
|
||||
|
@ -1,6 +1,6 @@
|
||||
.. _SrVO3:
|
||||
|
||||
We will discuss now how to set up a full working calculation,
|
||||
On the example of SrVO3 we will discuss now how to set up a full working calculation,
|
||||
including the initialization of the :ref:`CTHYB solver <triqscthyb:welcome>`.
|
||||
Some additional parameter are introduced to make the calculation
|
||||
more efficient. This is a more advanced example, which is
|
||||
@ -14,9 +14,8 @@ rotational-invariant Slater interaction Hamiltonian (:download:`dft_dmft_cthyb_s
|
||||
<images_scripts/dft_dmft_cthyb_slater.py>`). The user has to adapt these
|
||||
scripts to his own needs. How to execute your script is described :ref:`here<runpy>`.
|
||||
|
||||
TODO: At the end of this section we also provide hdf5 archives for this example, including data as function of DMFT iterations.
|
||||
|
||||
The conversion will now be discussed in detail for the Wien2k and VASP packages. For more details we refer to the :ref:`documentation <conversion>`.
|
||||
The conversion will now be discussed in detail for the Wien2k and VASP packages.
|
||||
For more details we refer to the :ref:`documentation <conversion>`.
|
||||
|
||||
|
||||
Wien2k
|
||||
@ -66,16 +65,6 @@ text files to the hdf5 archive by::
|
||||
This reads all the data, and stores everything that is necessary for the DMFT calculation in the file :file:`SrVO3.h5`.
|
||||
|
||||
|
||||
VASP
|
||||
====
|
||||
|
||||
DFT setup
|
||||
---------
|
||||
|
||||
Wannier orbitals
|
||||
----------------
|
||||
|
||||
|
||||
The DMFT calculation
|
||||
====================
|
||||
|
||||
@ -286,9 +275,3 @@ of the self energy and to stop (:emphasis:`fit_max_n`) before the noise fully ta
|
||||
If it is difficult to find a reasonable fit in this region you should increase
|
||||
your statistics (number of measurements). Keep in mind that :emphasis:`fit_min_n`
|
||||
and :emphasis:`fit_max_n` also depend on :math:`\beta`.
|
||||
|
||||
Data for benchmark / comparison
|
||||
-------------------------------
|
||||
|
||||
TODO: We should provide two h5 files, one fore Wien2k and one for VASP, with selfs for, say, 15 DMFT iterations. Then people can check what they are doing.
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user