mirror of https://github.com/phonopy/phonopy.git
Phonopy document minor update
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.. _command_options:
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x.. _command_options:
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Command options
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===============
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@ -46,9 +46,9 @@ copyright = u'2009, Atsushi Togo'
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# built documents.
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#
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# The short X.Y version.
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version = '1.9.7'
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version = '1.10.0'
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# The full version, including alpha/beta/rc tags.
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release = '1.9.7'
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release = '1.10.0'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -27,7 +27,7 @@ release toward python 3 support.
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**Phono3py** for phonon-phonon interaction calculations has been
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released as an open beta
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version. See the document at http://phonopy.sourceforge.net/phono3py/
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version. See the document at http://atztogo.github.io/phono3py/
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.
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**Phonon database**: A collection of phonon and mode-Gruneisen
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@ -102,13 +102,6 @@ Documentation
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reference
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changelog
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- `Manual in PDF <https://sourceforge.net/projects/phonopy/files/phonopy%20documentation/phonopy-manual.pdf/download>`_
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- `Presentation: Introduction to phonopy <https://sourceforge.net/projects/phonopy/files/phonopy%20documentation/phonopy-workshop.pdf/download>`_
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- `Presentation: Introduction to phonons <http://sourceforge.net/projects/phonopy/files/phonopy%20documentation/introduction-phonon-calc.pdf/download>`_
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.. _mailinglist:
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Mailing list
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@ -5,7 +5,7 @@ Download and install
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The procedure of setup phonopy is explained in this section. It is
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supposed that phonopy is installed on the recent linux distribution
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like Ubuntu or Fedora with Python version 2.5 or later. Mac OS X users
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like Ubuntu or Fedora with Python version 2.6 or later. Mac OS X users
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may find some more information on :ref:`install_MacOSX`. If you met
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installation problems, it is recommended to prepare a system with
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Ubuntu linux as a virtual machine. See :ref:`virtualmachine`
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@ -37,22 +37,27 @@ Ubuntu linux as a virtual machine. See :ref:`virtualmachine`
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and extract it::
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% tar xvfz phonopy-1.9.7.tar.gz
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% tar xvfz phonopy-1.10.0.tar.gz
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3. Put your phonopy directory into your ``PYTHONPATH`` in .bashrc etc,
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e.g.::
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export PYTHONPATH=~/phonopy-1.9.7/lib/python
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4. Set up C-libraries for python C-API and python codes. This can be
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3. Set up C-libraries for python C-API and python codes. This can be
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done as follows:
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Run ``setup.py`` script::
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% python setup.py install --home=.
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% python setup.py install --home=<my-directory>
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The command ``phonopy`` is located in the ``bin`` directory. The
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install location can be specified by the option ``--home``.
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where :file:`{<my-directory>}` may be your current directory, :file:`.`.
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Another choice may be to use the user scheme (see the python document)::
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% python setup.py install --user
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The executable command ``phonopy`` is located in the ``bin`` directory.
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4. Put ``lib/python`` path into :envvar:`$PYTHONPATH`, e.g., in your
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.bashrc, .zshenv, etc. If it is installed under your current
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directory, the path to be added to :envvar:`$PYTHONPATH` is such as below::
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export PYTHONPATH=~/phonopy-1.10.0/lib/python
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Special cases on installation
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@ -63,4 +68,3 @@ Special cases on installation
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MacOSX
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virtualmachine
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@ -43,7 +43,7 @@ The procedure of a Siesta-phonopy calculation is the following:
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::
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% phonopy --siesta -f disp-001/si.FA ...
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% phonopy --siesta -f disp-001/Si.FA ...
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Here ``*.FA`` files are the forces files created by Siesta.
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To run this command, ``disp.yaml`` has to be
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