<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>Hi everybody,</div>
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<div>I hope you are all well. It's my first experience with QE and DFT and I got a very basic question. Your help would be highly appreciate.</div>
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<div>I am going to calculate the binding energy of a tetragonal material on the cubic catalyst. How should I proceed with that? Is that fine to calculate the relax energy of the binded materials and substract the relax energy of separated materials? Besides, how can I define the crystal structure, atom position and ... of the binded material?</div>
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<div>Regards,</div>
<div>Omid Kazemi, PhD</div>
<div>o.kazedmi@web.de</div></div></body></html>