mirror of https://github.com/phonopy/phono3py.git
Set version 2.9.2
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# Change Log
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## Feb-2-2024: Version 2.9.2
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- `boundary_mfp` value is stored in `kappa-*.hdf5` file when it is specified.
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## Dec-26-2023: Version 2.9.1
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- Release to build conda-forge package.
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@ -561,6 +561,8 @@ Then running with isotope calculation:
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In the result hdf5 file, currently isotope scattering strength is not written
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out, i.e., `gamma` is still imaginary part of self energy of ph-ph scattering.
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(boundary_mfp_option)=
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### `--boundary-mfp`, `--bmfp` (`BOUNDARY_MFP`)
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A most simple phonon boundary scattering treatment is included. $v_g/L$ is just
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@ -60,7 +60,7 @@ copyright = "2015, Atsushi Togo"
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# The short X.Y version.
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version = "2.9"
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# The full version, including alpha/beta/rc tags.
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release = "2.9.1"
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release = "2.9.2"
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -123,8 +123,9 @@ The array shape is (irreducible q-point, phonon band).
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(kappa_hdf5_file_gamma)=
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### gamma
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Imaginary part of self energy. The physical unit is THz, where THz
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is in the ordinal frequency not the angular frequency.
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Imaginary part of self energy of phonon bubble diagram (phonon-phonon
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scattering). The physical unit is THz, where THz is in the ordinal frequency not
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the angular frequency.
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The array shape for all grid-points (irreducible q-points) is
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(temperature, irreducible q-point, phonon band).
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@ -262,9 +263,16 @@ P_{\mathbf{q}j} = \frac{1}{(3n_\mathrm{a})^2} \sum_{\lambda'\lambda''}
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$$
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This is not going to be calculated in the RTA thermal coductivity
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calculation mode by default. To calculate this, `--full_pp` option
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calculation mode by default. To calculate this, `--full-pp` option
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has to be specified (see {ref}`full_pp_option`).
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### boundary_mfp
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A value specified by {ref}`boundary_mfp_option`. The physical unit is
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micrometre.
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When `--boundary-mfp` option is explicitly specified, its value is stored here.
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### kappa_unit_conversion
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This is used to convert the physical unit of lattice thermal
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@ -34,4 +34,4 @@
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# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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# POSSIBILITY OF SUCH DAMAGE.
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__version__ = "2.9.1"
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__version__ = "2.9.2"
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