QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: evansjc on August 27, 2025, 23:55

Title: Use cases of ChargedPointDefect vs. ChargedPointDefectConfiguration
Post by: evansjc on August 27, 2025, 23:55

Hi,

I am planning to study defects like vacancies and hydrogen interstitials. I would like to know what the main differences are between an approach based on the ChargedPointDefect object and an approached based on the ChargedPointDefectConfiguration object. Is one recommended over the other based on the specifics of the problem? Is one more general? Is it mostly that ChargedPointDefectConfiguration can more easily act on a set of defects rather than a single defect or a defect cluster?

Thank you for your help!

Title: Re: Use cases of ChargedPointDefect vs. ChargedPointDefectConfiguration
Post by: Anders Blom on September 3, 2025, 02:55

Yes, that is the main difference. A new tutorial on this topic is in the works.

Title: Re: Use cases of ChargedPointDefect vs. ChargedPointDefectConfiguration
Post by: evansjc on September 19, 2025, 22:10

Hi Anders, great thank you for letting me know!