Model Potential

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razieyh maktoubian

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Dec 8, 2022, 4:54:24 AM12/8/22

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I tried to calculate the formation energy for diamond and Ga2O3 according to the CoFFEE example. DFT calculations were done with VASP. The model potential is different from the DFTdiff. I don't know what is the reason for this difference?

Calculation files are attached

Thank you for all your assistance.

attach.tar.gz

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