[doc] minor changes

doc/DFTDMFTmain.rst

@@ -5,7 +5,7 @@
 The DFT+DMFT calculation
 ========================
 
-After having set up the hdf5 arxive, we can now do our DFT+DMFT calculation. It consists of
+After having set up the hdf5 archive, we can now do our DFT+DMFT calculation. It consists of
 initialisation steps, and the actual DMFT self consistency loop.
 
 .. index:: initialisation of DFT+DMFT
@@ -22,12 +22,12 @@ to get the local quantities used in DMFT. It is initialized by::
 
 The only necessary parameter is the filename of the hdf5 archive. In addition, there are some optional parameters:
 
-  * `mu`: The chemical potential at initialization. This value is only used if no other value is found in the hdf5 arxive. The default value is 0.0.
+  * `mu`: The chemical potential at initialization. This value is only used if no other value is found in the hdf5 archive. The default value is 0.0.
   * `h_field`: External magnetic field. The default value is 0.0.
   * `use_dft_blocks`: If true, the structure of the density matrix is analysed at initialisation, and non-zero matrix elements 
     are identified. The DMFT calculation is then restricted to these matrix elements, yielding a more efficient solution of the 
     local interaction problem. Degeneracies in orbital and spin space are also identified and stored for later use. The default value is `False`. 
-  * `dft_data`, `symmcorr_data`, `parproj_data`, `symmpar_data`, `bands_data`: These string variables define the subgroups in the hdf5 arxive,
+  * `dft_data`, `symmcorr_data`, `parproj_data`, `symmpar_data`, `bands_data`: These string variables define the subgroups in the hdf5 archive,
     where the corresponding information is stored. The default values are consistent with those in :ref:`interfacetowien`.
 
 At initialisation, the necessary data is read from the hdf5 file. If a calculation is restarted based on a previous hdf5 file, information on

doc/conf.py.in

@@ -21,7 +21,7 @@ html_theme = 'triqs'
 html_theme_path = ['@TRIQS_THEMES_PATH@']
 html_show_sphinx = False
 html_context = {'header_title': 'dft_tools',
-                'header_subtitle': 'Connecting <a class="triqs" style="font-size: 12px" href="http://ipht.cea.fr/triqs">TRIQS</a>  to the Wien2k package',
+                'header_subtitle': 'Connecting <a class="triqs" style="font-size: 12px" href="http://ipht.cea.fr/triqs">TRIQS</a>  to DFT packages',
                 'header_links': [['Install', 'install'],
                                  ['Documentation', 'documentation'],
                                  ['Issues', 'issues'],

doc/install.rst

@@ -4,13 +4,13 @@
 Installation
 ============
 
-Prerequisite
-------------
+Prerequisites
+-------------
 
 #. The :ref:`TRIQS <triqslibs:welcome>` toolbox (see :ref:`TRIQS installation instruction <triqslibs:installation>`).
    In the following, we will suppose that it is installed in the ``path_to_triqs`` directory.
 
-#. Likely, you will also need at least one impurity solver, e.g. the :ref:`CTHYB_matrix solver <triqscthyb:welcome>`.
+#. Likely, you will also need at least one impurity solver, e.g. the :ref:`CTHYB solver <triqscthyb:welcome>`.
 
 Installation steps 
 ------------------
@@ -33,6 +33,9 @@ Installation steps
      $ make test 
      $ make install 
 
+Installation steps for use with WIEN2K
+---------------------------------------
+
 #. You need to take this last step manually since the Wien2k installation is not standard on all machines.
    After the above installation several files will be installed into::
   
@@ -63,7 +66,7 @@ Installation steps
 
    You will also need to insert manually a correct call of :file:`pytriqs` into
    these scripts using an appropriate for your system MPI wrapper (mpirun,
-   mpprun...), if needed. Search for *pytriqs* within the scripts to locate the
+   mpprun, etc.), if needed. Search for *pytriqs* within the scripts to locate the
    appropriate place for inserting the :file:`pytriqs` call.
 
    Finally, you will have to change the calls to :program:`python_with_DMFT` to

doc/interface.rst

@@ -8,7 +8,7 @@ to take the output of the program that constructs the projected local
 orbitals (:program:`dmftproj`, for documentation see :download:`TutorialDmftproj.pdf <TutorialDmftproj.pdf>`), and to store all the necessary information into
 an hdf5 file. This latter file is then used to do the DMFT calculation. The
 reason for this structure is that this enables the user to have everything
-that is necessary to reproduce the calculation in one single hdf5 arxive.
+that is necessary to reproduce the calculation in one single hdf5 archive.
 
 .. index:: Interface to Wien2k
 
@@ -17,7 +17,7 @@ that is necessary to reproduce the calculation in one single hdf5 arxive.
 The interface to Wien2k
 -----------------------
 
-As explained above, this interface produces an hdf5 arxive out of the files that
+As explained above, this interface produces an hdf5 archive out of the files that
 were written by the band structure package :program:`Wien2k/dmftproj`. 
 For this purpose we
 use the python module :class:`Wien2kConverter`. It is initialised as::
@@ -29,11 +29,11 @@ The only necessary parameter to this construction is the parameter `filename`.
 It has to be the root of the files produces by dmftproj. For example, if you did a 
 calculation for TiO, the :program:`Wien2k` naming convention is that all files are called 
 :file:`TiO.*`, so you would give `filename = "TiO"`. The constructor opens
-an hdf5 arxive, named :file:`material_of_interest.h5`, where all the data is stored.
+an hdf5 archive, named :file:`material_of_interest.h5`, where all the data is stored.
 
 There are three optional parameters to the Constructor:
 
-  * `dft_subgrp`: We store all data in subgroups of the hdf5 arxive. For the main data
+  * `dft_subgrp`: We store all data in subgroups of the hdf5 archive. For the main data
     that is needed for the DMFT loop, we use the subgroup specified by this optional parameter.
     The default value `dft_input` is used as the subgroup name.
   * `symmcorr_subgrp`: In this subgroup we store all the data for applying the symmetry 
@@ -44,7 +44,7 @@ There are three optional parameters to the Constructor:
     that :program:`h5repack` is in your path variable!
 
 After initialising the interface module, we can now convert the input text files into the
-hdf5 arxive by::
+hdf5 archive by::
 
   Converter.convert_dft_input()
 
@@ -52,8 +52,8 @@ This reads all the data, and stores it in the subgroup `dft_subgrp`, as discusse
 In this step, the files :file:`material_of_interest.ctqmcout` and :file:`material_of_interest.symqmc`
 have to be present in the working directory.
 
-After this step, all the necessary information for the DMFT loop is stored in the hdf5 arxive, where
-the string variable `Converter.hdf_file` gives the file name of the arxive.
+After this step, all the necessary information for the DMFT loop is stored in the hdf5 archive, where
+the string variable `Converter.hdf_file` gives the file name of the archive.
 You can now proceed with :ref:`DFTDMFTmain`.
 
 
@@ -79,7 +79,9 @@ spectral function. It is done by::
   Converter.convert_bands_input()
 
 The optional parameter that controls where the data is stored is `bands_subgrp`, 
-with the default value `dft_bands_input`.
+with the default value `dft_bands_input`. Note however that you need to run "dmftproj -band" to produce the
+necessary outband file. The casename.indmftpr file needs an additional line with E_fermi 
+(obtainable from casename.qtl).
 
 After having converted this input, you can further proceed with the :ref:`analysis`.
 
@@ -95,5 +97,5 @@ Interfaces to other packages
 
 Because of the modular structure, it is straight forward to extend the TRIQS package 
 in order to work with other band-structure codes. The only necessary requirement is that 
-the interface module produces an hdf5 arxive, that stores all the data in the specified
+the interface module produces an hdf5 archive, that stores all the data in the specified
 form. For the details of what data is stored in detail, see the reference manual.