I guess, may be it is a problem with OVITO, which is just doing the bounding box...<br><br><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Tuesday, February 9, 2021 at 9:37:47 AM UTC-7 Amitava Banerjee wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">HiĀ <div><br></div><div>I have optimized (GEO_OPT) the system with PERIODICĀ XYZ. But the optimized structure showing overlaps at the edge, as shown in the attached image.</div><div>Also the inp file is attached here</div><div><br></div>
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