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<p>Hi Riemann,</p>
<p>You may try molecularpdos.x where you can project the selected
atomic wave functions of the full system (corresponding to your
graphene) onto the isolated graphene structure (without
substrate).</p>
<p>Rolly<br>
</p>
<br>
<div class="moz-cite-prefix">On 08/17/2016 02:05 PM, Riemann
Derakhshan wrote:<br>
</div>
<blockquote
cite="mid:CA+YmQbn46ArfX88Utf2ZkfzTQF48Usy7K4epnZkQL14RojKQgg@mail.gmail.com"
type="cite">
<div dir="ltr">Dear QE Developer and users,
<div><br>
</div>
<div>I want to study the substrate effect on graphene, so I've
put it on the hydrogenated substrate and calculate the band
structure of the whole of the system. The whole of the system
becomes Insulator.</div>
<div><br>
</div>
<div>Now I want to know is it possible to extract just only the
graphene band structure from the band structure od the whole
of the system (without substrate) with projected band
structure method?</div>
<div><br>
</div>
<div>If it is possible how I should do it? Any help is
appreciated.</div>
<div><br>
</div>
<div>Thank You in advance</div>
<div><br>
</div>
<div><br>
</div>
<div>Sincerely Yours</div>
<div><br>
</div>
<div>Riemann</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br clear="all">
<div>
<div class="gmail_signature"
data-smartmail="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr"><font face="georgia, serif">-- <br>
PhD. student of Physics<br>
Physics Department of Damghan University <br>
Tel : +98 938 903 6759<br>
P.O.Box:36716-41167<br>
Damghan, Iran</font></div>
</div>
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<br>
<br>
<br>
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<br>
<pre class="moz-signature" cols="72">--
PhD. Research Fellow,
Dept. of Physics & Materials Science,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0538</pre>
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