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Marion Barbee

Materials Studio - Castep - Geometry optimization?

Dave Nordling  Follow

PS: You are probably aware of the Materials Studio user community https://r1132100503382-eu1-3dswym.3dexperience.3ds.com/#community:36/post:sqPbJqE5RbqmZiaoHicBig , those posts are viewed more regularly than ResearchGate ones.

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Cyndi Root  Follow

Victor Milman Thank you for your response i will do it

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Andrew T  Follow

I haven't seen this error before, but if you post your cell and param files we can investigate what's happening. If you don't want to share them publicly, feel free to message me directly and we can just post the solution back here.

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