jarvis.analysis.defects.substitutions

Modules for making point-defect substituions.

Module Contents

Functions

generate_defect([atoms, enforce_c_size, ...])

Provide function to generate substitution defects.
jarvis.analysis.defects.substitutions.generate_defect(atoms=None, enforce_c_size=10.0, on_conventional_cell=False, extend=1, subs_element='Al', selected_element=None)[source]

Provide function to generate substitution defects.