<div dir="ltr">I see. So is the input I'm using affecting what the XYZ file produces? I mean my job run successfully and that's the file I got.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Feb 8, 2021 at 1:11 PM Rizwan Nabi <<a href="mailto:rizwan...@gmail.com">rizwan...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div class="gmail_default" style="font-size:small">Hi Lenard,</div><div class="gmail_default" style="font-size:small">Your GOLD_GEO_OPT-pos-1 does not show any changes in the atomic position as there no geometry optimization steps done in your case. It should show a number of steps. </div><div class="gmail_default" style="font-size:small"><br></div><div class="gmail_default" style="font-size:small">Regards</div><div class="gmail_default" style="font-size:small">Rizwan</div><div class="gmail_default" style="font-size:small"><br></div><div><div dir="ltr"><div dir="ltr"><div style="font-size:12.8px"><div><div><div style="margin:0px;padding:0px;border:0px;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:rgb(0,0,0)"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">-------</span></div><div style="margin:0px;padding:0px;border:0px;font-stretch:inherit;font-size:12pt;line-height:inherit;font-family:Calibri,Arial,Helvetica,sans-serif;vertical-align:baseline;color:rgb(0,0,0)"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">Dr Rizwan Nabi</span><br style="color:rgb(32,31,30);font-size:15px"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">Research Associate</span><br style="color:rgb(32,31,30);font-size:15px"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">Department of Chemistry, The University of Manchester</span><br style="color:rgb(32,31,30);font-size:15px"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">Oxford Road, Manchester, M13 9PL, United Kingdom</span><br style="color:rgb(32,31,30);font-size:15px"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">t: +44 (0)742 447 4940</span><br style="color:rgb(32,31,30);font-size:15px"><span style="margin:0px;padding:0px;border:0px;font-style:inherit;font-variant:inherit;font-weight:inherit;font-stretch:inherit;font-size:15px;line-height:inherit;font-family:"Times New Roman",Times,serif;vertical-align:baseline;color:rgb(32,31,30)">e: <a href="mailto:rizwa...@manchester.ac.uk" target="_blank">rizwa...@manchester.ac.uk</a></span></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Feb 8, 2021 at 10:23 AM ASSIDUO Network <<a href="mailto:lenardc...@gmail.com" target="_blank">lenardc...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">I can't seem to upload the output file, so if requested I will paste the output manually.
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