Update document for version 1.10.9

This commit is contained in:
Atsushi Togo 2016-04-24 16:41:05 +09:00
parent ac11903210
commit 9868c80ac9
3 changed files with 26 additions and 2 deletions

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@ -3,6 +3,11 @@
Change Log
==========
Apr-24-2016: version 1.10.9
------------------------------
- Failure of writing ``kappa-mxxx-gx.hdf5`` was fixed.
Apr-16-2016: version 1.10.7
------------------------------

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@ -49,9 +49,9 @@ copyright = u'2015, Atsushi Togo'
# built documents.
#
# The short X.Y version.
version = '1.10.7'
version = '1.10.9'
# The full version, including alpha/beta/rc tags.
release = '1.10.7'
release = '1.10.9'
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.

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@ -284,3 +284,22 @@ Averaged phonon-phonon interaction in :math:`\text{eV}^2`,
This is not going to be calculated in the RTA thermal coductivity
calculation mode by default. To calculate this, ``--full_pp`` option
has to be specified (see :ref:`full_pp_option`).
kappa_unit_conversion
~~~~~~~~~~~~~~~~~~~~~~
This is used to convert the physical unit of lattice thermal
conductivity made of ``heat_capacity``, ``group_velocity``, and
``gamma``, to W/m-K. In the single mode relaxation time (SMRT) method,
a mode contribution to the lattice thermal conductivity is given by
.. math::
\kappa_\lambda = \frac{1}{NV_0} C_\lambda \mathbf{v}_\lambda \otimes
\mathbf{v}_\lambda \tau_\lambda^{\mathrm{SMRT}}.
For example of some single mode, :math:`\kappa_{\lambda,{xx}}` is calculated by::
kappa_unit_conversion / weight.sum() * heat_capacity[30, 2, 0] * group_velocity[2, 0, 0] ** 2 / (2 * gamma[30, 2, 0])
where :math:`1/V_0` is included in ``kappa_unit_conversion``.