Update document

doc/examples.rst

@@ -1,15 +1,17 @@
 .. _examples_link:
 
 Examples
-=========
+========
 
 .. contents::
    :depth: 2
    :local:
 
-Example files are stored in the ``example`` directory of distributed
-source package that can be downloaded at
-https://pypi.python.org/pypi/phono3py .
+Example files are found at
+https://github.com/atztogo/phono3py/tree/master/example. The same are
+found in the example directory of the phono3py package downloaded at
+https://github.com/atztogo/phono3py/archive/master.zip.
+
 
 Examples of silicon with VASP and Pwscf as calculators are given in
 the ``example`` directory. An example using phono3py API is found in

doc/index.rst

@@ -6,14 +6,49 @@ This software calculates phonon-phonon interaction and related
 properties using the supercell approach. For example, the following
 physical properties are obtained:
 
-- Lattice thermal conductivity
+- Lattice thermal conductivity (RTA and :ref:`direct solution of LBTE
+  <direct_solution>`)
 - Phonon lifetime/linewidth
 - Imaginary part of self energy
 - Joint density of states (JDOS) and weighted-JDOS
 
-The theoretical background is summarized in the paper found at
-http://dx.doi.org/10.1103/PhysRevB.91.094306 or the draft in arxiv at
-http://arxiv.org/abs/1501.00691 .
+Some papers that may introduce phono3py well:
+
+- Theoretical background is summarized in this paper:
+  http://dx.doi.org/10.1103/PhysRevB.91.094306 (arxiv
+  http://arxiv.org/abs/1501.00691).
+- Introduction to phono3py application:
+  https://doi.org/10.1103/PhysRevB.97.224306 (open access).
+
+The source code is found at https://github.com/atztogo/phono3py
+(BSD-3-Clause). The code is written in Python extended with C and
+written as:
+
+- Works at least on Linux systems and MacOS easily.
+- Each calculation is distributed over CPU-cores by OpenMP.
+- Phonon lifetime (or ph-ph collision) calculations of respective
+  phonon modes can be executed as independent calculations.
+- Thermal conductivity calculations are highly efficiently
+  distributed over nodes (see :ref:`workload_distribution`).
+- User interfaces for :ref:`VASP <vasp_interface>`,
+  :ref:`QE <pwscf_interface>`, :ref:`CRYSTAL <crystal_interface>`, and Abinit
+  are built in (see :ref:`calculator_interfaces`).
+- API is prepared to operate from Python script (`example
+  <https://github.com/atztogo/phono3py/blob/master/example/Si-PBEsol/Si.py>`_)
+
+Some tools to analyze the calculated results are prepared (see
+:ref:`auxiliary_tools`).
+
+.. |i0| image:: Si-kaccum.png
+        :width: 20%
+
+.. |iMFP| image:: Si-kaccum-MFP.png
+                  :width: 20%
+
+.. |ikde| image:: Si-kdeplot.png
+        :width: 22%
+
+|i0| |iMFP| |ikde|
 
 Documentation
 =============
@@ -49,7 +84,7 @@ Message body including attached files has to be smaller than 300 KB.
 License
 =======
 
-New BSD
+BSD-3-Clause (New BSD)
 
 Contact
 =======

doc/install.rst

@@ -3,6 +3,12 @@
 Installation
 =============
 
+MPI is not used in phono3py, so the installation is expected to be
+easy. The detailed installation processes for different environments
+are described below. The easiest installation with a good computation
+performance is achieved by using the phono3py conda package (see
+:ref:`install_an_example`).
+
 .. contents::
    :depth: 3
    :local:
@@ -198,6 +204,9 @@ https://atztogo.github.io/phonopy/MacOSX.html, which is more-or-less
 the same as phonopy, but with openblas, too. An example of the
 procedure is summarized in the next section.
 
+
+.. _install_an_example:
+
 An example of installation process
 -----------------------------------
 

doc/interfaces.rst

@@ -3,11 +3,11 @@
 Interfaces to calculators
 ==========================
 
-Currently the built-in interfaces for VASP, Pwscf, and CRYSTAL are
-prepared. VASP is the default interface and no special option is
-necessary to invoke it, but for the other interfaces, each special
-option has to be specified, e.g. ``--pwscf``, ``--crystal``, or
-``--abinit``.
+Currently the built-in interfaces for VASP, QUANTUM ESPRESSO (QE),
+CRYSTAL, and Abinit are prepared. VASP is the default interface and no
+special option is necessary to invoke it, but for the other
+interfaces, each special option has to be specified, e.g. ``--qe``,
+``--crystal``, or ``--abinit``.
 
 .. toctree::
    :maxdepth: 1
@@ -33,7 +33,7 @@ unit systems used for the calculators are summarized below.
            | unit-cell  FORCES_FC3   disp_fc3.yaml
    -----------------------------------------------
    VASP    | Angstrom   eV/Angstrom  Angstrom
-   Pwscf   | au (bohr)  Ry/au        au
+   QE      | au (bohr)  Ry/au        au
    CRYSTAL | Angstrom   eV/Angstrom  Angstrom
    Abinit  | au (bohr)  eV/Angstrom  au
 
@@ -53,7 +53,7 @@ Default unit cell file name
 Default unit cell file names are also changed according to the calculators::
 
    VASP    | POSCAR
-   Pwscf   | unitcell.in
+   QE      | unitcell.in
    CRYSTAL | crystal.o
    Abinit  | unitcell.in
 
@@ -67,6 +67,6 @@ Default displacement distances created by ``-d`` option without
 ``--amplitude`` option are respectively as follows::
 
    VASP    | 0.03 Angstrom
-   Pwscf   | 0.06 au (bohr)
+   QE      | 0.06 au (bohr)
    CRYSTAL | 0.03 Angstrom
    Abinit  | 0.06 au (bohr)