Dear <span style="border-collapse: collapse; color: rgb(0, 104, 28); font-weight: bold; white-space: nowrap; ">udayagiri sai babu：</span><div><font class="Apple-style-span" color="#00681C"><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;"><b><font class="Apple-style-span" color="#000000"><span class="Apple-style-span" style="font-weight: normal;">Sorry, I am not fully understand what you want：（</span></font></b></span></font></div>

<div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;"><br></span></div><div><font class="Apple-style-span" color="#00681C"><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;"><b><font class="Apple-style-span" color="#000000"><span class="Apple-style-span" style="font-weight: normal;">You can find how to set occupation at example directory.</span></font></b></span></font></div>

<div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">For example:</span></div><div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">&system</span></div>

<div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">occupation = 'smearing'</span></div><div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">smearing = 'gaussian'</span></div>

<div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">degauss=0.001</span></div><div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">/</span></div>

<div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;"><br></span></div><div><span class="Apple-style-span" style="border-collapse: collapse; white-space: nowrap;">Or you can use PWgui for convenience：）</span></div>

<div><br><div class="gmail_quote">On Sat, Sep 12, 2009 at 6:52 AM, udayagiri sai babu <span dir="ltr"><<a href="mailto:udayagiri3@gmail.com">udayagiri3@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">

Dear Xirainbow<br>If i have to write occupations from input for say for Cr (nbnd=12) how does my occupations card look like<div><div></div><div class="h5"></div></div></blockquote><div>  </div></div>____________________________________<br>

Hui Wang<br>School of physics, Nankai University, Tianjin, China<br>
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