Dear Prof. Oleg, Prof. Blaha, and Prof. MarksThank you very much for your response. I have tried to terminate the surface layer by using octave program. But I could not found any fruitful result. I went through UG also.The available tools in UG are only limited to rotate, shift, merge, bla bla. Please help me to get the desired result. I am not getting the a perfect layer of atoms, the layer ends with a single atom just like to put an atom on a surface. I am a grade student and do not have much experience on this bestChin
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