diff --git a/doc/conf.py.in b/doc/conf.py.in index f4b78cb2..fb18a948 100644 --- a/doc/conf.py.in +++ b/doc/conf.py.in @@ -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" diff --git a/doc/tutorials.rst b/doc/tutorials.rst index 5a6257a3..d02cdeb6 100644 --- a/doc/tutorials.rst +++ b/doc/tutorials.rst @@ -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 ----------------------------------------------------------- diff --git a/doc/tutorials/fese.rst b/doc/tutorials/fese.rst deleted file mode 100644 index 6402ee12..00000000 --- a/doc/tutorials/fese.rst +++ /dev/null @@ -1,8 +0,0 @@ -.. _FeSe: - -FeSe -==== - - -Discuss 5-orbital setup. - diff --git a/doc/tutorials/latio3.rst b/doc/tutorials/latio3.rst deleted file mode 100644 index 1193d20a..00000000 --- a/doc/tutorials/latio3.rst +++ /dev/null @@ -1,7 +0,0 @@ -.. _LaTiO3: - -LaTiO3 -====== - -Discuss Off-diagonals, rotation of basis. - diff --git a/doc/tutorials/sr2ruo4_soc.rst b/doc/tutorials/sr2ruo4_soc.rst deleted file mode 100644 index 20f73817..00000000 --- a/doc/tutorials/sr2ruo4_soc.rst +++ /dev/null @@ -1,7 +0,0 @@ -.. _Sr2RuO4: - -Sr2RuO4 -======= - -Discuss addign SOC by hand to t2gs. - diff --git a/doc/tutorials/srmno3.rst b/doc/tutorials/srmno3.rst deleted file mode 100644 index 39319542..00000000 --- a/doc/tutorials/srmno3.rst +++ /dev/null @@ -1,7 +0,0 @@ -.. _SrMnO3: - -SrMnO3 -====== - -Discuss Magnetism, setup with flipping spins and so on. - diff --git a/doc/tutorials/srvo3.rst b/doc/tutorials/srvo3.rst index 578f2b39..93ee8998 100644 --- a/doc/tutorials/srvo3.rst +++ b/doc/tutorials/srvo3.rst @@ -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 `. 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 `). The user has to adapt these scripts to his own needs. How to execute your script is described :ref:`here`. -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 `. +The conversion will now be discussed in detail for the Wien2k and VASP packages. +For more details we refer to the :ref:`documentation `. 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. -