This is a major version release. There are backward-incompatible changes.
Calculation method to transform supercell third-order force constants fc3 in
real to reciprocal space was changed as described at Version 2.9.0 changelog
below. This results in the change of results with respect to those obtained by
phono3py version 2. To emulate v2 behaviour, use --v2 option in phono3py
command line script. For Phono3py class , make_r0_average=True (default)
when instantiating it, and similarly for phono3py.load function.
Completely dropped support of disp_fc3.yaml and disp_fc2.yaml.
Dropped support of old style usage of phono3py-kaccum script.
Removed functions write_fc3_dat, write_triplets, write_grid_address in
file_IO.py.
Removed methods marked by DeprecationWarning.
Removed masses, band_indices, sigmas, sigma_cutoff parameters from
Phono3py.__init__().
This is a major version release. There are backward-incompatible changes.
--v2option in phono3py command line script. ForPhono3pyclass ,make_r0_average=True(default) when instantiating it, and similarly forphono3py.loadfunction.disp_fc3.yamlanddisp_fc2.yaml.phono3py-kaccumscript.write_fc3_dat,write_triplets,write_grid_addressinfile_IO.py.DeprecationWarning.masses,band_indices,sigmas,sigma_cutoffparameters fromPhono3py.__init__().