Dear Ramesh!<div><br></div><div>Visualize the structure with Xcrysden. You may be figure out the problem by yourself.<br><br><div class="gmail_quote">On Sat, Sep 17, 2011 at 5:27 PM, ramesh kumar <span dir="ltr"><<a href="mailto:raamesh123@rediffmail.com">raamesh123@rediffmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear All<br>
<br>
I am trying to make a tetragonal supercell with 32 atoms but got this error<br>
<br>
<br>
from check_atoms : error # 1<br>
atoms # 1 and # 2 overlap!<br>
<br>
I tried searching forum got the answer like because of the equivalent atom positions it shows the <br>
error. So i tried to use p1 space group (triclinic cell) but i am unable to get rid of the error. <br>
Anyboday faced this problem earlier please help me in this regard...<br>
<br>
Thankyou<br><br>With regards<br>
<br>
K. Ramesh Kumar<br>
Research Scholar<br>
Department of Physics<br>
IIT-Madras<br>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey<div>BTech-Mtech, IIT Kanpur<br>Senior Project Associate,<br>
Department of Chemical Engineering,<br>IIT KANPUR, UP, INDIA<br>-----------------------------------------------------------------</div><br>
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