<div dir="ltr"><div><div><div>Hi, thank you for your response, <br><br></div>I changed the data toler value from 1.d-07 to 1.d-05 by myself, and recompiled with
./siteconfig, R Compile/Recompile, S Select program, spaghetti
<br><br></div>but the problem still persist. <br><br></div><div>Who should i send the files to?<br></div><div><br></div><div>Thanks for your answer and your time<br><br></div><div>Regards<br></div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">2018-02-19 20:29 GMT-08:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">What did you change the data toler value to? The 1.d-07 [ <a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15787.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/w<wbr>ien@zeus.theochem.tuwien.ac.at<wbr>/msg15787.html</a> ] to 1.d-05 [ <a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16402.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/w<wbr>ien@zeus.theochem.tuwien.ac.at<wbr>/msg16402.html</a> ]?<br>
<br>
You used bz_lin.patch [ <a href="https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1" rel="noreferrer" target="_blank">https://github.com/gsabo/WIEN2<wbr>k-Patches/tree/master/17.1</a> ] or changed bz_lin.f yourself (by hand)?<br>
<br>
How did you recompile? make clean, make, cp spaghetti .. or ./siteconfig, R Compile/Recompile, S Select program, spaghetti?<br>
<br>
It may be that nobody can help further without having a case.struct and case.klist_band to reproduce the bandstructure like last time [ <a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15781.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/w<wbr>ien@zeus.theochem.tuwien.ac.at<wbr>/msg15781.html</a> ].<div><div class="h5"><br>
<br>
On 2/19/2018 3:23 PM, Sergio Castillo Robles wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi dear Wien users,<br>
<br>
I would appreciate any help you could give me to solve this problem:<br>
<br>
I am running the latest version of wien2k, 17.1 in a computer with<br>
Processor (CPU): Intel(R) Core(TM)2 Extreme CPU Q6850 @ 3.00GHz<br>
Speed: 1,998.00 MHz<br>
Cores: 4 RAM: 2.0 GiB<br>
OS: Linux 2.6.31.14-0.8-default x86_64<br>
System: openSUSE 11.2 (x86_64)<br>
KDE: 4.3.5 (KDE 4.3.5) "release 0"<br>
SUSE Linux 4.4.1 gcc-4_4-branch revision 150839<br>
<br>
The problem occurs when i plot the bandstructure in wien2k following<br>
the steps as the UG suggests, in the graph there are a bunch of<br>
vertical lines between the M and K points, and the same lines appears<br>
when i select the k-path with xcrysden. I have tried changing the value in the bz_lin.f file as someone suggests but the issue continues.<br>
<br>
What is generating this extra lines?<br>
<br>
Thanks for your time. Best regards.<br>
</blockquote></div></div>
______________________________<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="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac<wbr>.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wi<wbr>en@zeus.theochem.tuwien.ac.at/<wbr>index.html</a><br>
</blockquote></div><br></div>