Set version 2.9.2

This commit is contained in:
Atsushi Togo 2024-02-02 11:09:19 +09:00
parent 4ce32e7e28
commit d86978558f
5 changed files with 19 additions and 5 deletions

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@ -2,6 +2,10 @@
# Change Log
## Feb-2-2024: Version 2.9.2
- `boundary_mfp` value is stored in `kappa-*.hdf5` file when it is specified.
## Dec-26-2023: Version 2.9.1
- Release to build conda-forge package.

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@ -561,6 +561,8 @@ Then running with isotope calculation:
In the result hdf5 file, currently isotope scattering strength is not written
out, i.e., `gamma` is still imaginary part of self energy of ph-ph scattering.
(boundary_mfp_option)=
### `--boundary-mfp`, `--bmfp` (`BOUNDARY_MFP`)
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"
# The short X.Y version.
version = "2.9"
# The full version, including alpha/beta/rc tags.
release = "2.9.1"
release = "2.9.2"
# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.

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@ -123,8 +123,9 @@ The array shape is (irreducible q-point, phonon band).
(kappa_hdf5_file_gamma)=
### gamma
Imaginary part of self energy. The physical unit is THz, where THz
is in the ordinal frequency not the angular frequency.
Imaginary part of self energy of phonon bubble diagram (phonon-phonon
scattering). The physical unit is THz, where THz is in the ordinal frequency not
the angular frequency.
The array shape for all grid-points (irreducible q-points) is
(temperature, irreducible q-point, phonon band).
@ -262,9 +263,16 @@ P_{\mathbf{q}j} = \frac{1}{(3n_\mathrm{a})^2} \sum_{\lambda'\lambda''}
$$
This is not going to be calculated in the RTA thermal coductivity
calculation mode by default. To calculate this, `--full_pp` option
calculation mode by default. To calculate this, `--full-pp` option
has to be specified (see {ref}`full_pp_option`).
### boundary_mfp
A value specified by {ref}`boundary_mfp_option`. The physical unit is
micrometre.
When `--boundary-mfp` option is explicitly specified, its value is stored here.
### kappa_unit_conversion
This is used to convert the physical unit of lattice thermal

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@ -34,4 +34,4 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
__version__ = "2.9.1"
__version__ = "2.9.2"