Update document for v1.12.0

doc/conf.py

@@ -49,9 +49,9 @@ copyright = u'2009, Atsushi Togo'
 # built documents.
 #
 # The short X.Y version.
-version = '1.11.14'
+version = '1.12.0'
 # The full version, including alpha/beta/rc tags.
-release = '1.11.14'
+release = '1.12.0'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
@@ -246,7 +246,7 @@ htmlhelp_basename = 'phonopydoc'
 # Grouping the document tree into LaTeX files. List of tuples
 # (source start file, target name, title, author, documentclass [howto/manual]).
 latex_documents = [
-  ('contents', 'phonopy.tex', u'phonopy manual',
+  ('documentation', 'phonopy.tex', u'phonopy manual',
    u'Atsushi Togo', 'manual'),
 ]
 

doc/interfaces.rst

@@ -75,15 +75,18 @@ Default unit conversion factor for non-analytical term correction
    CRYSTAL | 14.399652
 
 
-.. _interfaces_to_force_calculators:
+.. _tutorials_for_calculators:
 
-Interfaces to force calculators
---------------------------------
+Tutorials for calculators
+--------------------------
+
+Force calculators
+^^^^^^^^^^^^^^^^^^^
 
 Short tutorials for force calculators are found in the following pages.
 
 .. toctree::
-   :maxdepth: 2
+   :maxdepth: 1
 
    vasp
    wien2k
@@ -93,26 +96,26 @@ Short tutorials for force calculators are found in the following pages.
    elk
    crystal
 
-Interface to  VASP DFPT force constants
----------------------------------------
+VASP DFPT force constants
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
 Using VASP DFPT feature, force constants are directly
 calculated. Phonopy VASP DFPT interface reads ``vasprun.xml`` and
 creates ``FORCE_CONSTANTS`` file.
 
 .. toctree::
-   :maxdepth: 2
+   :maxdepth: 1
 
    vasp-dfpt
 
-Interface to FHI-aims forces
------------------------------
+For FHI-aims
+^^^^^^^^^^^^^
 
 For FHI-aims, there is a special command, ``phonopy-FHI-aims``. This
 tool is maintained by FHI-aims community and questions may be sent to the
 FHI-aims mailing list.
 
 .. toctree::
-   :maxdepth: 2
+   :maxdepth: 1
 
    FHI-aims

doc/procedure.rst

@@ -4,41 +4,5 @@ Short tutorials
 ================
 
 Tutorials for different force calculators, VASP, WIEN2k, PWscf (QE),
-ABINIT, SIESTA, Elk, and, CRYSTAL, are given at
-:ref:`interfaces_to_force_calculators`.
-
-The structure file names are different in different force calculators,
-see :ref:`calculator_interfaces`. To notify this, (*) is put
-after the structure file name. By refering
-:ref:`calculator_interfaces`, please read the file name according to
-those for the other calculators.
-
-Following files are required in your working directory.
-
-- ``POSCAR`` (*), and ``FORCE_SETS`` or ``FORCE_CONSTANTS``
-- ``disp.yaml`` is required to create ``FORCE_SETS``.
-
-In the case of finite difference approach, there are three steps.
-
-1. Create supercells and introduce atomic displacements. Each
-   supercell contains one atomic displacement. It is done by using
-   ``-d`` option with ``--dim`` option that specifies supercell
-   dimension.  The files of supercells with atomic displacements like
-   as ``POSCAR-001``, ``POSCAR-002``, ..., (*) are created in current
-   directory by running phonopy. The files ``disp.yaml`` and
-   ``SPOSCAR`` are also created. The file ``SPOSCAR`` is the perfect
-   supercell that contains no atomic displacement. This file is not
-   usually used.
-
-2. Calculate forces on atoms of the supercells with atomic
-   displacements. After obtaining forces on atoms that calculated by
-   some calculator (it's out of phonopy), the forces are summarized in
-   ``FORCE_SETS`` file following the :ref:`format <file_forces>`.
-
-3. Calculate phonon related properties.
-
-If you already have force constants, the first and second steps can be
-omitted. However your force constants have to be converted to the
-:ref:`format <file_force_constants>` that phonopy can read. The
-:ref:`VASP interface <vasp_force_constants>` to convert force
-constants is prepared in phonopy.
+ABINIT, SIESTA, Elk, and, CRYSTAL, are found at
+:ref:`tutorials_for_calculators`.