Phono3py

Latest version: v3.10.0

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1.13.3

- `--lw` (linewidth) option was removed. Use `--br` option and find 2\*gamma
values as linewidths in `kappa-xxx.hdf5` file.
- Documentation of `--lbte` option is available at {ref}`direct_solution`.
- This version is dependent on phonopy>=1.13.2.

1.13.1

- Compact force constants are implemented (See {ref}`compact_fc_option`).

1.12.9

- Definition of `mode_kappa` values in output hdf5 file is changed. Previously
they were divided by number of grid points, but now not. Therefore users who
compute `kappa` from `mode_kappa` need to be careful about this change. This
does not affect to `phono3py-kaccum` results.

1.12.7

- `--tsym` option is removed. Now with `--sym-fc3r` and `--sym-fc2` options,
translational invariance symmetry is also applied.
- `--sym-fc` option is added. This is just an alias to specify both `--sym-fc3r`
and `--sym-fc2` together.
- Documentation on `--write-phonon` and `--read-phonon` options is written.
These options are used to save harmonic phonon infromation on strage.

1.12.5

- Bug fix of RTA thermal conductivity. This bug exists from version 1.10.11.18
(git e40cd059). This bug exhibits when all the following conditions are met:

1. RTA thermal conductivity calculation.
2. Tetrahedron method for Brillouin zone integration is used.
3. Number of triplets is smaller than number of bands at each grid point.
4. Without using `--full-pp`.

(3) happens when the primitive cell is relatively large. Number of triplets
can be shown using `--stp` option. A race condition of OpenMP multithreading
is the source of the bug. Therefore, if it occurs, the same calculation comes
up with the different thermal conductivity value in every run time, for whcih
it behaves like randomly.

- RTA thermal conductivity with smearing method (`--sigma`) is made to run with
smaller memory consumption as similar as tetrahedron method (`--thm`).

1.12.3

- Command option parser of the phonopy tools is replaced from `optparse` to
`argparse`.
- The filenames used with these options were the positional arguments
previously. Now they are the command-line arguments, i.e., filenames have to
be put just after the option name like
`-f vasprun.xml-001 vasprun.xml-002 ...`.
- The names of auxiliary tools (`kdeplot` and `kaccum`) are changed, for which
the prefix phono3py- is added to the old names to avoid accidental conflict
with other script names already existing under bin directory.
- {ref}`sigma_cutoff_option` option was created.

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