<div dir="ltr">Dear Sir,<div><br></div><div style>As per your suggestion i use make conventional(s) but showing same error </div><div style>I attached here both error file and structure file </div><div style><br></div><div style>
Thanks & Regards</div><div style><br></div><div style>Vishal Jain</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Jun 4, 2013 at 1:05 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Instead of "makeprimitive", use "makeconventional(s)<br>
<br>
And please: view the resulting structure !!!!<div class="im"><br>
<br>
On 06/04/2013 08:25 AM, vishal jain wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I make a surface Fe(100) using Structgen,<br>
</blockquote>
<br>
</div><div class="im"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Following comand I use to make surface<br>
<br>
s=loadstruct("Fe.struct")<br>
<br>
s1=makeprimitive (s);<br>
<br>
n=[1 0 0];<br>
<br>
s2=makesurface (s1,n,0,30,26);<br>
<br>
savestruct (s2, "Fe1.struct")<br>
</blockquote>
<br></div>
-- <br>
<br>
P.Blaha<br>
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
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Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/<u></u>theochem/</a><br>
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</blockquote></div><br></div>