Hello Guys
I am using Wigner-Seitz defect analysis modifier in ovito. to calculate the per atom occupancies in ovito, is it possible to visualise them in ovito so I can catch wherever change of occupancy occurs ?
Please accept my best regards
Irslan Ullah Ashraf
When you use the Wigner-Seitz Modifier in “Sites” mode you can use the Color Coding Modifier to color the found lattice sites based on their occupancy.
Alternatively, you can use the modifier in “Atoms” mode and write a custom Python modifier to compare the Site Identifier for each atom at different time steps to track when an atom changes site.
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Thanks man
you suggestions are highly appreciated and it solve my problem
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