new structure for doc

doc/conf.py.in

@@ -32,6 +32,7 @@ html_context = {'header_title': 'dft tools',
                 'header_subtitle': 'connecting <a class="triqs" style="font-size: 12px" href="http://triqs.github.io/triqs">TRIQS</a> to DFT packages',
                 'header_links': [['Install', 'install'],
                                  ['Documentation', 'documentation'],
+                                 ['Tutorials', 'tutorials'],
                                  ['Issues', 'issues'],
                                  ['About DFTTools', 'about']]}
 html_static_path = ['@CMAKE_SOURCE_DIR@/doc/_static']

doc/documentation.rst

@@ -16,18 +16,31 @@ Basic notions
    basicnotions/structure
 
 
-User guide
+Construction of local orbitals from DFT
-----------
+---------------------------------------
 
 .. toctree::
    :maxdepth: 2
 
    guide/conversion
+
+
+DFT+DMFT
+--------
+
+.. toctree::
+   :maxdepth: 2
+
    guide/dftdmft_singleshot
-   guide/SrVO3
    guide/dftdmft_selfcons
+
+Postprocessing
+--------------
+
+.. toctree::
+   :maxdepth: 2
+
    guide/analysis
-   guide/full_tutorial
    guide/transport
 
 

doc/index.rst

@@ -24,7 +24,7 @@ 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`.
+Learn how to use this package in the :ref:`documentation` and the :ref:`tutorials`.
 
 
 .. toctree::

doc/tutorials.rst

@@ -0,0 +1,61 @@
+.. module:: triqs_dft_tools
+
+.. _tutorials:
+
+Tutorials
+=========
+
+A simple example: SrVO3
+-----------------------
+
+.. toctree::
+   :maxdepth: 2
+
+   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
+-----------------------------------------------------------
+
+.. toctree::
+   :maxdepth: 2
+
+
+   tutorials/ce-gamma-fscs_wien2k
+

doc/tutorials/fese.rst

@@ -0,0 +1,8 @@
+.. _FeSe:
+
+FeSe
+====
+
+
+Discuss 5-orbital setup.
+

doc/tutorials/latio3.rst

@@ -0,0 +1,7 @@
+.. _LaTiO3:
+
+LaTiO3
+======
+
+Discuss Off-diagonals, rotation of basis.
+

doc/tutorials/sr2ruo4_soc.rst

@@ -0,0 +1,7 @@
+.. _Sr2RuO4:
+
+Sr2RuO4
+=======
+
+Discuss addign SOC by hand to t2gs.
+

doc/tutorials/srmno3.rst

@@ -0,0 +1,7 @@
+.. _SrMnO3:
+
+SrMnO3
+======
+
+Discuss Magnetism, setup with flipping spins and so on.
+

doc/tutorials/srvo3.rst

@@ -1,14 +1,10 @@
 .. _SrVO3:
 
-SrVO3 (single-shot)
-===================
-
 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
-also suited for parallel execution. The conversion, which
+also suited for parallel execution. 
-we assume to be carried out already, is discussed :ref:`here <conversion>`.
 
 For the convenience of the user, we provide also two
 working python scripts in this documentation. One for a calculation
@@ -18,6 +14,25 @@ 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>`.
 
+The conversion will now be discussed in detail for the Wien2k and VASP packlages. For more details we refer to the :ref:`documentation <conversion>`.
+
+
+Wien2k setup and conversion
+===========================
+
+TODO
+
+VASP setup and conversion
+=========================
+
+TODO
+
+The DMFT calculation
+====================
+
+The DMFT script itself is, except very few details, independent of the DFT package that was used to calculate the local orbitals.
+As soon as one has converted everything to the hdf5 format, the following procedure is practially the same. 
+
 Loading modules
 ---------------