Regarding models for alpha and gamma-Al2O3

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1

Hi Axel,

Thanks for your reply. I have a further question. I checked that all available Al2O3 coul/streitz or SMTBQ potentials are fit for alpha-Al2O3. Can I use it for gamma-Al2O3 though?

Best,
Shuang

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You wrote you do not care about accuracy.
Are the differences between alpha and gamma Al2O3 that big?

Beyond that, why don’t you just make a test and see what you get?

Axel.