ShengBTE FC3 writer is faulty
The shengBTE writer (and likely the reader) is faulty and should be fixed.
It's very easy for us to obtain FC3s in the phono3py format however transferring these to the shengBTE format is currently not done correctly.
I think getting this to work correctly is fairly important since this provides a useful interface to the shengBTE code.
The shengBTE format
This format seems to ignore PBC and simply embed the primitive cell in primitive cells extended in all directions.
Edited by Erik Fransson