Author Topic: how to output number of vacancies for all simulation  (Read 80 times)

bahmanpbamp

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how to output number of vacancies for all simulation
« on: June 14, 2019, 03:44:54 PM »
Dear OVITO experts,

How can I output number of vacancies for each step during simulation? it seems that a pytone script is required.am i correct?

Yours,
Bahman

Constanze Kalcher

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Re: how to output number of vacancies for all simulation
« Reply #1 on: June 14, 2019, 05:12:30 PM »
Dear Bahman,

it depends on what you would like to do specifically, but if you have used the Wigner-Seitz defect analysis modifier you will have created two global attributes "WignerSeitz.vacancy_count" and "WignerSeitz.interstitial_count". Global attributes can be easily exported to a text file using the File-export function "Table of values" in the GUI.
https://ovito.org/manual_testing/particles.modifiers.wigner_seitz_analysis.html

-Constanze