diff --git a/doc/changelog.md b/doc/changelog.md index 06ed8ba8..a2cfd955 100644 --- a/doc/changelog.md +++ b/doc/changelog.md @@ -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. diff --git a/doc/command-options.md b/doc/command-options.md index 2e815fa0..a8b969d7 100644 --- a/doc/command-options.md +++ b/doc/command-options.md @@ -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 diff --git a/doc/conf.py b/doc/conf.py index b8f6048f..cae6e3a1 100644 --- a/doc/conf.py +++ b/doc/conf.py @@ -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. diff --git a/doc/hdf5_howto.md b/doc/hdf5_howto.md index bf90878d..8569eac9 100644 --- a/doc/hdf5_howto.md +++ b/doc/hdf5_howto.md @@ -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 diff --git a/phono3py/version.py b/phono3py/version.py index a38d4d39..434dd992 100644 --- a/phono3py/version.py +++ b/phono3py/version.py @@ -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"