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<p>In nn.f there is twice<br>
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<p>dstmax=max(20.d0, ...<br>
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<p>Replacing 20.d0 by something larger should help.<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Parker, David S. <parkerds@ornl.gov><br>
<b>Sent:</b> Wednesday, November 11, 2020 8:57 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] [EXTERNAL] Re: nn distance limit</font>
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<p class="MsoNormal">Does anyone know how to extend the distance limit that nn</p>
<p class="MsoNormal">Causes atomic distances to be written to case.outputnn? Above</p>
<p class="MsoNormal">A certain value (about 3.5) input at the prompt following ‘x nn’,</p>
<p class="MsoNormal">The case.outputnn file does not continue to increase the maximum</p>
<p class="MsoNormal">Distance. I am using the WIEN2K_19 version. Presumably there is a</p>
<p class="MsoNormal">Parameter somewhere in the software that can be changed.</p>
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<p class="MsoNormal">Thanks, </p>
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<p class="MsoNormal"><span style="font-size:12.0pt">David Parker</span></p>
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