<div dir="ltr"><div><div><div>Dear Sir,<br><br></div>The error details are as below.<br></div><br>"At line 125 of file wn_readbakgen.f (unit =8, file= '100.outputkgen') Fortran runtime error: Bad integer for item 1 in list input".<br><br></div>Thanking you.<br><br></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Nov 16, 2016 at 3:19 PM, Tone Kokalj <span dir="ltr"><<a href="mailto:tone.kokalj@ijs.si" target="_blank">tone.kokalj@ijs.si</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">On Thu, 2016-11-10 at 19:59 +0530, Peram sreenivasa reddy wrote:<br>
><br>
> Dear Wien2k and XCrySDen,<br>
><br>
> I am working on FCC compounds (which have four atoms in a unit cell)<br>
> with Wien2k code. To get Fermi surface i used 44x 44x 44 K-mesh,<br>
> which will create 2168 k points in the Brillouin Zone. With this<br>
> number of K points, i get smooth Fermi surfaces. <br>
><br>
> After this, i created a supercell which is 8 times larger than the<br>
> initial one (which have 32 atoms). In this case, i used 10x10x10 k-<br>
> mesh(overall 1000 points) to get Fermi surface (which gave 516 k<br>
> points). But i am getting errors while generating Fermi surfaces.<br>
<br>
<br>
</span>Please post some details of the errors that you get.<br>
<br>
Best regards, Tone<br>
<span class="HOEnZb"><font color="#888888">-- <br>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia <br>
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<br>
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</font></span></blockquote></div><br><br clear="all"><br>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><i>P.V.SREENIVASA REDDY</i><br><i>Research Scholar<br>Department of Physics </i><br><div><i>Indian Institute of Technology</i></div><div><i>Hyderabad</i></div></div>
</div>