How to use material studio castep to simulate Flexible Ga2O3 substrate?

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Aqeel Mohsin Ali

Dear Alieu Jallow

Use ( File - Import - Structures - Metal Oxides - Ga2O3_monoclinic ) you will find the Ga2O3_monoclinic then you can to make all your computation work.

Alieu Jallow

Thank you. I have did that before and i have even used the first principle, that is GGA+ U. Got my results and even got the band structure 4.93 eV. What I wanted is what best to use to notice its flexibility