Hi @qzhu2017 , thanks again for the great work with pyxtal! I was wondering if you could comment on the origin choices in pyxtal for layer groups compared to those in spglib (described here) and/or if it would be possible to initialize a pyxtal layer group from spglib's convention, similarly to this previous thread.
Hi @qzhu2017 , thanks again for the great work with
pyxtal! I was wondering if you could comment on the origin choices inpyxtalfor layer groups compared to those in spglib (described here) and/or if it would be possible to initialize a pyxtal layer group from spglib's convention, similarly to this previous thread.