Bramha,<br><br>When asking on the forum, please always send your complete input file. Makes it easier to find what's wrong.<br><br>My guess is that you wanted the coordinates in crystal units instead of alat units.You can fix it by using<br>
<br>ATOMIC_POSITIONS crystal <br><br>in the input file. Check if it works.<br><br>Regards<br><br clear="all">Giovani Faccin<br>UFMS / Brazil<br>
<br><br><div class="gmail_quote">2012/2/16 bramha pandey <span dir="ltr"><<a href="mailto:pandey.bramha@gmail.com">pandey.bramha@gmail.com</a>></span><br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br><br>
<div class="gmail_quote"><div class="im">On Wed, Feb 15, 2012 at 10:08 PM, Tribhuwan Pandey <span dir="ltr"><<a href="mailto:tribhuwan.physics@gmail.com" target="_blank">tribhuwan.physics@gmail.com</a>></span> wrote:<br>

<blockquote style="BORDER-LEFT:#ccc 1px solid;MARGIN:0px 0px 0px 0.8ex;PADDING-LEFT:1ex" class="gmail_quote">Hi all ,<br><br>          I am doing scf calculation for silicon on 2*2*2 supercell,but pw.x code showing me following error<br>

<br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     task #         0<br>     from check_atoms : error #         1<br>     atoms #   1 and #   4 overlap!<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>

<br>Am generating supercell in crystal maker.</blockquote>
</div><div>    Plz Can i know how you are make it by crystal maker?</div><div class="im">
<blockquote style="BORDER-LEFT:#ccc 1px solid;MARGIN:0px 0px 0px 0.8ex;PADDING-LEFT:1ex" class="gmail_quote">I have tried different combination of supercell but each time i am getting the same error.<br>for the error quoted above my atomic position are as follows<br>

<br>ATOMIC_POSITIONS<br>Si     0.000000     0.000000     0.000000<br>Si     0.500000     0.000000     0.000000<br>Si     0.000000     0.500000     0.000000<br>Si     0.500000     0.500000     0.000000<br>Si     0.000000     0.000000     0.500000<br>

Si     0.500000     0.000000     0.500000<br>Si     0.000000     0.500000     0.500000<br>Si     0.500000     0.500000     0.500000<br>Si     0.125000     0.125000     0.125000<br>Si     0.625000     0.125000     0.125000<br>

Si     0.125000     0.625000     0.125000<br>Si     0.625000     0.625000     0.125000<br>Si     0.125000     0.125000     0.625000<br>Si     0.625000     0.125000     0.625000<br>Si     0.125000     0.625000     0.625000<br>

Si     0.625000     0.625000     0.625000<br>K_POINTS {automatic}<br>4 4 4 0 0 0<br><br><br>I am  newbie to quantum espresso .i have no idea how to fix it .<br></blockquote>
</div><div>You can try it with ibrav=0, by the same atomic coordinates.</div>
<blockquote style="BORDER-LEFT:#ccc 1px solid;MARGIN:0px 0px 0px 0.8ex;PADDING-LEFT:1ex" class="gmail_quote"><div class="im">Can any one help me in this regard.<br><br>thanking you <br><br><br>Warm Regards<br>Tribhuwan pandey<br>
<br>IISc Bangalore<br>
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<br></blockquote></div><span class="HOEnZb"><font color="#888888"><br><br clear="all"><br>-- <br>Thanks and Regards<br>Bramha Prasad Pandey<br>GLA University, Mathura.<br>INDIA.<br><br>
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