Specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes
of the Structure
class
#4220
Labels
enhancement
A new feature or improvement to an existing one
Feature Requested
Now, we can specify only the
site_ids
of atoms to define an atomic plane for which a miller index is derived in theget_miller_index_from_site_indexes
method of theStructure
class. But this is quite inconvenient because we cannot get the Miller indices of the planes passing through atoms located at equivalent intercell positions in different unit cells.Proposed Solution
Therefore, I would like someone to make the method able to get arbitrary atomic planes by using a new argument indicating the unit cell positions of the atoms, an atomic plane overlaps.
Sorry for the bad English.
Best regards
Relevant Information
No response
The text was updated successfully, but these errors were encountered: