Closed psavery closed 8 months ago
@gustafsonsven, can you give this a try? After you instantiate your material, use material.pgnum
to get the point group number. Let me know if it works.
@gustafsonsven tried this and it worked for him!
@saransh13 approved this verbally.
The material's (or unitcell's) point group can now be accessed via a
pgnum
property.This also adds some dicts that store this info.