<div dir="ltr">Did you run "x lapw1 -band" before? If not, the reason can be a mismatch between your k-list and the vector file.<div><br></div><div>I do not want to discourage you, but the band structure for large sells (supercells) does not look very pretty. The density of states (especially PDOS) can be more informative.</div>
<div><br></div><div>Oleg</div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam <span dir="ltr"><<a href="mailto:sikandar_hu@yahoo.com" target="_blank">sikandar_hu@yahoo.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 style="font-size:12pt;font-family:times new roman,new york,times,serif"><div>Hello all</div><div>I am facing the problem in plotting the band structure, especially for big compounds like biological compounds.</div>
<div>I get this problem</div><div><span style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">Commandline: </span><b style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">x spaghetti -c</b><br style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">
<span style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">Program input is: </span><b style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)">""</b><span style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)"> </span><br style="font-family:Helvetica,Arial,sans-serif;font-size:16px;background-color:rgb(240,240,240)">
<br style="font-family:Helvetica,Arial,sans-serif;font-size:medium;background-color:rgb(240,240,240)"></div><table border="1" style="font-family:Helvetica,Arial,sans-serif;border:0px;padding:2px;background-color:rgb(240,240,240)">
<tbody><tr style="border:0px;padding:0px"><td style="border:0px;padding:0px"><pre style="font-family:Courier,fixed"> number of k-points read in case.vector= 251
forrtl: severe (174): SIGSEGV, segmentation fault occurred
0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w
error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed
</pre><div>please some one help me.</div><div>thanks in advance</div><div>with regards</div><div>sikander Azam</div></td></tr></tbody></table></div></div><br>_______________________________________________<br>
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