<div dir="ltr">I wrote "2 1D-5 20".</div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Aug 2, 2017 at 7:07 AM, afiq radzwan <span dir="ltr"><<a href="mailto:afiqradzwan1992@gmail.com" target="_blank">afiqradzwan1992@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<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="m_-7776362364413764926gmail_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.northweste<wbr>rn.edu</a><br>
Partner of the CFW 100% gender equity project, <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.cfw.org_100-2Dpercent&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=ngZkWbqI6K59nCpluX4xlir-OyGyv_h5Ol4p9VhbIZc&s=oHzkP1gnfiW--MORLKUOah_r9ypDHxoNURymNVH73d8&e=" target="_blank">
www.cfw.org/100-percent</a><br>
Co-Editor, Acta Cryst A<br>
</div>
<div>
<div class="m_-7776362364413764926h5">
<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_-7776362364413764926m_-4164930739046464262quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div dir="ltr">
<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>
<br>
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>
<br>
<br>
</div>
<div>But everything is okay with 5 unit cell. Is it an error? and how to fix it?<br>
</div>
<div><br>
<br>
</div>
I have SEARCHED the archives AND READ THE USERS GUIDE and the FAQ pages, but I couldn't solve my problem.<br>
<br>
<br>
Thanks and regards<font color="#888888"><br>
<br>
<br>
<span style="font-family:verdana,sans-serif"></span>
<div>
<div class="m_-7776362364413764926m_-4164930739046464262m_7453942775868879103gmail-m_-5872603710236103407gmail_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>
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>
</font></font></span></div>
<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>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</font></div>
</div>
</blockquote>
</div>
<br>
</div>
</div>
</div>
</div>
</div>
<br>
______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.a<wbr>t</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=ngZkWbqI6K59nCpluX4xlir-OyGyv_h5Ol4p9VhbIZc&s=X4807IvgF5nJTmO9KuQAqTVt0CTLSuaPpNJ9cU3hkHY&e=" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac<wbr>.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=ngZkWbqI6K59nCpluX4xlir-OyGyv_h5Ol4p9VhbIZc&s=VqYT43eolMtyTb4sbesYwg5AmvlGzYB3eWUXXVTNY3E&e=" rel="noreferrer" target="_blank">
http://www.mail-archive.com/wi<wbr>en@zeus.theochem.tuwien.ac.at/<wbr>index.html</a><br>
<br>
</blockquote>
</div>
<br>
</div>
</div>
</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><span style="font-size:12.8px">Professor Laurence Marks</span><br></div><div dir="ltr"><span style="font-size:12.8px">"Research is to see what everybody else has seen, and to think what nobody else has thought", </span><span style="font-size:12.8px">Albert Szent-Gyorgi</span><br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> ; <span style="font-size:12.8px">Corrosion in 4D: </span><a href="http://MURI4D.numis.northwestern.edu" style="font-size:12.8px" target="_blank">MURI4D.numis.northwestern.edu</a><div><span style="font-size:12.8px">Partner of the CFW 100% program for gender equity, </span><a href="http://www.cfw.org/100-percent" style="font-size:12.8px" target="_blank">www.cfw.org/100-percent</a></div><div>Co-Editor, Acta Cryst A</div></div></div></div></div></div></div></div></div></div></div>
</div>