Phono3py

Latest version: v3.15.0

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1.10.7

- API example is prepared and it is found in `Si` example. No documentation yet.
- Si pwscf example was placed in `example-phono3py` directory.
- User interface bug fix.

1.10.5

- Numbering way of phono3py version was just changed (No big updates were made
against previous version.) The number is given based on the phonopy version.
For example, the harmonic part of phono3py-1.10.5 is based on the code close
to phonopy-1.10.4.
- Python3 support
- For the RTA thermal conductivity calculation mode with using the linear
tetrahedron method, only necessary part of phonon-phonon interaction strength
among phonons is calculated. This improves lifetime calculation performance,
but as the drawback, averaged ph-ph interaction strength can not be given.
See {ref}`full_pp_option`.
- Pwscf interface ({ref}`calculator_interfaces`)

0.9.14

- Computational performance tuning for phonon-phonon interaction strength
calculation was made by Jonathan Skelton. Depending on systems, but 10-20%
performance improvement may be possible.
- `--stp` option is created to show numbers of q-point triplets to be
calculated. See {ref}`command_options`.
- `--write_gamma` and `--read_gamma` support using with `--bi` option. Therefore
a thermal conductivity calculation can be distributed over band index, too.
This may be useful for the system whose unit cell is large.

0.9.13

- Changed so that `--wgp` option writes `grid_address-mxxx.hdf5` instead of
`grid_address-mxxx.dat`.
- `--write_detailed_gamma` is implemented. See {ref}`command_options`.
- When running without setting `--thm` and `--sigma` options, linear tetrahedron
method corresponding to `--thm` is used as the default behavior.
- `--ise` options is created.

0.9.12

- Spglib update to version 1.8.2.1.
- Improve computational performance of `kaccum` and `gaccum`.

0.9.10.1

- Bug fix of `gcaccum`

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