<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">x nn<br> specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax (about<br>  1.d-5, 20)]<br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Then just enter whatever you want, e.g. 4 instead of the default 2. Too large a number can take a while, particularly for a large cell.</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Nov 11, 2020 at 1:58 PM Parker, David S. <<a href="mailto:parkerds@ornl.gov">parkerds@ornl.gov</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">





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<p class="MsoNormal">Does anyone know how to extend the distance limit that nn<u></u><u></u></p>
<p class="MsoNormal">Causes atomic distances to be written to case.outputnn? Above<u></u><u></u></p>
<p class="MsoNormal">A certain value (about 3.5) input at the prompt following ‘x nn’,<u></u><u></u></p>
<p class="MsoNormal">The case.outputnn file does not continue to increase the maximum<u></u><u></u></p>
<p class="MsoNormal">Distance. I am using the WIEN2K_19 version. Presumably there is a<u></u><u></u></p>
<p class="MsoNormal">Parameter somewhere in the software that can be changed.<u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Thanks, <u></u><u></u></p>
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<p class="MsoNormal"><span style="font-size:12pt">David Parker<u></u><u></u></span></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>