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Dear Sharma<br>
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I guess what you want to do is plotting a band-structure where the size of the bands is proportional to their weight on a given orbital/atom.<br>
I am not sure that this tool is implemented in QE but you can write a program that reads the output of projwfc giving the weight of each eigenfunction projected on the pseudo-atomic wave functions.<br>
<br>
You can find an example of such analysis in our paper<br>
<a href="http://iopscience.iop.org/article/10.1088/0953-8984/25/14/146002/meta" target="_blank">http://iopscience.iop.org/article/10.1088/0953-8984/25/14/146002/meta</a><br>
<br>
I once wrote such a program but the best is probably to do it yourself.<br>
If you have any problem you can ask me I might be able to find my old and ugly program:-)<br>
<br>
Good luck<br>
<br>
Cyrille<br>
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<div style="font-family:Tahoma; font-size:13px"><b>Cyrille Barreteau</b><br>
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<div style="font-family:Tahoma; font-size:13px"><font size="2"><font face="Times New Roman">CEA Saclay<span style="background-color:white"></span></font><font face="Times New Roman">,
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Ørsteds Plads, building 345E<br>
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</font><font face="Times New Roman"><font face="Times New Roman"><font face="Times New Roman">+33 1 69 08 29 51 /</font></font></font><font face="Times New Roman"><font face="Times New Roman"><font face="Times New Roman"><font face="Times New Roman"><font face="Times New Roman">+33
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<div style="direction: ltr;" id="divRpF992141"><font color="#000000" face="Tahoma" size="2"><b>De :</b> pw_forum-bounces@pwscf.org [pw_forum-bounces@pwscf.org] de la part de Sharma SRK Chaitanya Yamijala [sharmajncasr@gmail.com]<br>
<b>Envoyé :</b> mardi 15 septembre 2015 06:42<br>
<b>À :</b> pw_forum@pwscf.org<br>
<b>Objet :</b> Re: [Pw_forum] "orbital projected" band structure<br>
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<pre style="color:rgb(0,0,0)">Dear Jeff,</pre>
<pre style="color:rgb(0,0,0)">Thanks for the explanation and for your time. What you have explained is true to understand PDOS. But, I need "projected-Bandstructure" not projected-DOS. </pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif">For your information:</span><br></pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif">For each L there is information inside the PDOS files (i.e. #atm files) for each 'm' value. The last 3 coloumns if l=1 i.e. for p-orbitals.</span></pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif"><br></span></pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif">Thank you once again for your time,</span></pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif">Sincerely,</span></pre>
<pre style="color:rgb(0,0,0)"><span style="font-family:arial,sans-serif">Sharma.</span></pre>
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<font size="2"><b style="color:rgb(51,51,255)">Chaitanya Sharma,</b></font><br>
<b><span style="font-family:'times new roman',serif">Prof. Pati'</span></b>s group,<br>
<span style="color:rgb(56,118,29)">Chemistry and Physics Materials unit</span>,<br>
<span style="color:rgb(255,0,0)">JNCASR</span>, BANGLORE,<br>
Lab:: (080-2208) <span style="color:rgb(0,0,255)">2581, 2809</span><br>
<a href="https://sites.google.com/site/sharmasrkcyamijala/" target="_blank">https://sites.google.com/site/sharmasrkcyamijala/</a><br>
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<div class="gmail_quote">On Mon, Sep 14, 2015 at 3:28 PM, Sharma SRK Chaitanya Yamijala
<span dir="ltr"><<a href="mailto:sharmajncasr@gmail.com" target="_blank">sharmajncasr@gmail.com</a>></span> wrote:<br>
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<div dir="ltr">Dear all,
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<div>Can some one guide me on how to achieve orbital projected band structure. I have seen projwfc.x and I only k-resolved dos.</div>
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<div>Thanking you for your help,</div>
<div>Sincerely,</div>
<div>Sharma.<br clear="all">
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<font size="2"><b style="color:rgb(51,51,255)">Chaitanya Sharma,</b></font><br>
<b><span style="font-family:'times new roman',serif">Prof. Pati'</span></b>s group,<br>
<span style="color:rgb(56,118,29)">Chemistry and Physics Materials unit</span>,<br>
<span style="color:rgb(255,0,0)">JNCASR</span>, BANGLORE,<br>
Lab:: (080-2208) <span style="color:rgb(0,0,255)">2581, 2809</span><br>
<a href="https://sites.google.com/site/sharmasrkcyamijala/" target="_blank">https://sites.google.com/site/sharmasrkcyamijala/</a><br>
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