[Phonopy-users] Spectral function along high symmetry path

[Alex K. <ake...@gm...>]

Dear Prof. Togo,

I am attempting to calculate the spectral function using phono3py along the
high symmetry path. I am interested to produce something like Figure 1 of
this article https://dx.doi.org/10.1088/1361-648X/ac7b01

I wanted to ask if this feature is implemented in the current version of
phono3py. I tested something like

phono3py --fc3 --fc2 --dim="2 2 3" --dim-fc2="3 3 5" --band="0 0 0 1/2 0 0"
--mesh 7 7 11 -c POSCAR --nac --q-direction="1 0 0" --gp=0 --spf

but the band options do not make a difference.

Thanks a lot for your time.

Best
Alex