<div dir="ltr">but sir even I change dlimit & dstmax with different value such as 0.5,1 and 20, the result is still the same<br></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><span style="font-family:verdana,sans-serif">Afiq Radzwan, <br>Master of philosophy(Physics) candidate<br>Department of Physics,</span><br><span style="font-family:verdana,sans-serif"><font color="#ff00cc"><font color="#000000">Faculty of Science,<br>Universiti Teknologi Malaysia,<br>81310 UTM Johor Bahru, JOHOR,<br>MALAYSIA.</font></font></span><br><span style="font-family:verdana,sans-serif"><a href="mailto:afiq6@live.utm.my" target="_blank">afiq6@live.utm.my</a> <a href="mailto:afiqradzwan1992@gmail.com" target="_blank">afiqradzwan1992@gmail.com</a><br>+601112108576</span><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Wed, Aug 2, 2017 at 7:41 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="auto"><div>As the code suggests, change dlimit & dstmax, e.g. enter</div><div dir="auto"><br></div><div dir="auto">2 1.d-5 20</div><div dir="auto"><br></div><div dir="auto">(not "2").</div><div dir="auto"><br></div><div dir="auto">I am 98% certain this will remove the issue.<br><br><div data-smartmail="gmail_signature" dir="auto">---<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu" target="_blank">http://www.numis.northwestern.<wbr>edu</a><br>Corrosion in 4D <a href="http://MURI4D.numis.northwestern.edu" target="_blank">http://MURI4D.numis.<wbr>northwestern.edu</a><br>Partner of the CFW 100% gender equity project, <a href="http://www.cfw.org/100-percent" target="_blank">www.cfw.org/100-percent</a><br>Co-Editor, Acta Cryst A<br> </div><div><div class="h5"><div class="gmail_extra" dir="auto"><br><div class="gmail_quote">On Aug 2, 2017 06:35, "afiq radzwan" <<a href="mailto:afiqradzwan1992@gmail.com" target="_blank">afiqradzwan1992@gmail.com</a>> wrote:<br type="attribution"><blockquote class="m_-4164930739046464262quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div>Dear WIEN2K users,I am running wien2K version 13 on a 32-core machine.I have problem with initialization after constructing supercell. I am trying to increase the unit cell up to 6 unit in z direction and I got these on my terminal for x nn:<br>
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specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax (about<br>
1.d-5, 20)]<br>
2<br>
DSTMAX: 236.739035100000 <br>
iix,iiy,iiz 12 33 2 264.097296000000 <br>
246.526698000000 426.556820000000 <br>
nnn too small<br>
0.0u 0.0s 0:01.32 0.0% 0+0k 0+40io 0pf+0w<br>
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<div>But everything is okay with 5 unit cell. Is it an error? and how to fix it?<br>
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I have SEARCHED the archives AND READ THE USERS GUIDE and the FAQ pages, but I couldn't solve my problem.<br>
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<div dir="ltr"><span style="font-family:verdana,sans-serif">Afiq Radzwan, <br>
Doctor of philosophy(Physics) candidate<br>
Department of Physics,</span><br>
<span style="font-family:verdana,sans-serif"><font color="#ff00cc"><font color="#000000">Faculty of Science,<br>
Universiti Teknologi Malaysia,<br>
81310 UTM Johor Bahru, JOHOR,<br>
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<div><span style="font-family:verdana,sans-serif"><a href="tel:+60%2011-1210%208576" value="+601112108576" target="_blank"><font color="#000000">Malaysia</font></a></span><br>
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