I want to determine the interaction energy between the MgO surface and polymer coating using Materials Studio software.
What should be (h k l) cleave plane to have a cut-off distance of at least 9.5 A?
Parastoo Ahmadpour-Samani
Hi Roya.
If you want to set the cut-off distance more than 9.5 A, you should change the direction of your determined cleave surface. I mean that please try (0 0 -1) or other directions and simultaneously check the amount of cut-off distance in the cleave surface tab. Consequently, you can examine the best direction and desirable cut-off distance.
If you have any question, I hope to answer you.
Best wishes.
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