Phono3py

Latest version: v3.5.2

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0.7.1

- It is changed to sampling q-points in Brillouin zone. Previously q-points are
sampled in reciprocal primitive lattice. Usually this change affects very
little to the result.
- q-points of phonon triplets are more carefully sampled when a q-point is on
Brillouin zone boundary. Usually this change affects very little to the
result.
- Isotope effect to thermal conductivity is included.

0.6.0

- `disp.yaml` is renamed to `disp_fc3.yaml`. Old calculations with `disp.yaml`
can be used without any problem just by changing the file name.
- Group velocity is calculated from analytical derivative of dynamical matrix.
- Group velocities at degenerate phonon modes are better handled. This improves
the accuracy of group velocity and thus for thermal conductivity.
- Re-implementation of third-order force constants calculation from supercell
forces, which makes the calculation much faster
- When any phonon of triplets can be on the Brillouin zone boundary, i.e., when
a mesh number is an even number, it is more carefully treated.

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