Skip to content

Commit

Permalink
Added some descriptions in the documentation.
Browse files Browse the repository at this point in the history
  • Loading branch information
ttadano committed Jul 17, 2015
1 parent f3dd6f5 commit 1b72f3c
Show file tree
Hide file tree
Showing 3 changed files with 18 additions and 1 deletion.
Binary file modified docs/img/si_cumulative.png
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
17 changes: 17 additions & 0 deletions docs/source/formalism/formalism_anphon.rst
Original file line number Diff line number Diff line change
Expand Up @@ -309,7 +309,24 @@ The phonon lifetime is estimated using the Matthiessen's rule as
The lattice thermal conductivity will be written to the file ``PREFIX``.kl.

Cumulative thermal conductivity
-------------------------------

The accumulative lattice thermal conductivity :math:`\kappa_{\mathrm{ph,acc}}^{\mu\nu}(L)` is defined as

.. math::
\kappa_{\mathrm{ph,acc}}^{\mu\mu}(L) = \frac{1}{\Omega N_{q}} \sum_{\boldsymbol{q},j}c_{\boldsymbol{q}j}v_{\boldsymbol{q}j}^{\mu}v_{\boldsymbol{q}j}^{\mu}\Theta (L-|\boldsymbol{v}_{\boldsymbol{q}j}|\tau_{\boldsymbol{q}j}),
where :math:`\Theta(x)` is the step function. This quantity can be calculated by using the script ``analyze_phonons.py`` with ``--calc cumulative`` flag.
One can also use another definition for the accumulative thermal conductivity:

.. math::
\kappa_{\mathrm{ph,acc}}^{\mu\nu}(L) = \frac{1}{\Omega N_{q}} \sum_{\boldsymbol{q},j}c_{\boldsymbol{q}j}v_{\boldsymbol{q}j}^{\mu}v_{\boldsymbol{q}j}^{\nu}\Theta (L-|v_{\boldsymbol{q}j}^{\mu}|\tau_{\boldsymbol{q}j}).
In this case, the contribution to the total thermal conductivity is limited only from phonon modes whose mean-free-path along the :math:`\mu`\ -direction is smaller than :math:`L`.
To calculate this, please use the ``--calc cumulative2`` flag and specify the direction :math:`\mu` by the ``--direction`` option.

Delta function
--------------
Expand Down
2 changes: 1 addition & 1 deletion docs/source/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -375,7 +375,7 @@ You can extract phonon lifetime from this file as::
You can also estimate the cumulative thermal conductivity by
::

$ analyze_phonons.py --calc cumulative --temp 300 --length 10000:5 --direction 1 > cumulative_300K.dat
$ analyze_phonons.py --calc cumulative --temp 300 --length 10000:5 > cumulative_300K.dat
$ gnuplot
gnuplot> set logscale x
gnuplot> plot "cumulative_300K.dat" using 1:2 w lp
Expand Down

0 comments on commit 1b72f3c

Please sign in to comment.