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Update document to remove --lw option

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Atsushi Togo 2018-06-02 22:01:39 +02:00
parent f8c8ded9b6
commit 26db864c63
2 changed files with 8 additions and 18 deletions
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6
doc/changelog.rst
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@ -3,6 +3,12 @@
Change Log
==========
June-2-2018: version 1.13.1.x
------------------------------
- ``--lw`` (linewidth) option was removed. Use ``--br`` option and
find 2*gamma values as linewidths in ``kappa-xxx.hdf5`` file.
May-17-2018: version 1.13.1
----------------------------

20
doc/command-options.rst
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@ -700,7 +700,7 @@ detailed information.
====================================== =============================================================================================================================================
gamma_detail for ``--ise`` (temperature, sampling frequency point, symmetry reduced set of triplets at a grid point, band1, band2, band3) in THz (without :math:`2\pi`)
gamma_detail for ``--lw`` and ``--br`` (temperature, symmetry reduced set of triplets at a grid point, band1, band2, band3) in THz (without :math:`2\pi`)
gamma_detail for ``--br`` (temperature, symmetry reduced set of triplets at a grid point, band1, band2, band3) in THz (without :math:`2\pi`)
mesh Numbers of sampling mesh along reciprocal axes.
frequency_point for ``--ise`` Sampling frequency points in THz (without :math:`2\pi`), i.e., :math:`\omega` in :math:`\Gamma_\lambda(\omega)`
temperature (temperature,), Temperatures in K
@ -723,7 +723,7 @@ following script:
weight = gd['weight'][:]
gamma = np.dot(weight, gamma_tp[temp_index])
For example, for ``--lw`` or ``--br``, this ``gamma`` gives
For example, for ``--br``, this ``gamma`` gives
:math:`\Gamma_\lambda(\omega_\lambda)` of the band indices at the grid
point indicated by :math:`\lambda` at the temperature of index 30. If
any bands are degenerated, those ``gamma`` in
@ -843,22 +843,6 @@ with respect to frequency in THz (without :math:`2\pi`).
% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --q-direction="1 0 0" --gp=0 --ise --bi="4 5, 6"
.. _lw_option:
``--lw``: Line width
~~~~~~~~~~~~~~~~~~~~~
(Setting tag: ``LINEWIDTH``, ``.TRUE.`` or ``.FALSE.``)
Linewidth :math:`2\Gamma_\lambda(\omega_\lambda)` is calculated with
respect to temperature. The output is written to
``linewidth-mxxx-gx(-sx)-bx.dat`` in THz (without :math:`2\pi`).
::
% phono3py --fc3 --fc2 --dim="2 2 2" --mesh="16 16 16" -c POSCAR-unitcell --nac --q-direction="1 0 0" --gp=0 --lw --bi="4 5, 6"
.. _jdos_option:
``--jdos``: Joint density of states