Dear all,
I am trying to generate interstitial defect with the new defect package but I can’t understand how to use it. I am reading the source code, but except the generate function, I see no function to return the defect site / or structure.
from pymatgen.analysis.defects.generators import VoronoiInterstitialGenerator
defect = VoronoiInterstitialGenerator()
defect.generate(structure, [‘Li’])
From this, how can I obtain the structure with defect ?