structuretoolkit.build.aimsgb

structuretoolkit.build.aimsgb#

Functions

get_grainboundary_info(axis, max_sigma)

Provides a list of possible GB structures for a given rotational axis and upto the given maximum sigma value.

grainboundary(axis, sigma, plane, ...[, ...])

Generate a grain boundary structure based on aimsgb.