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<p>Dear Vivek,</p>
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<p>I used turbo_eels.x to compute the absorption spectrum (Im(eps)) for bulk Bi: <a href="https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.3.033210" class="OWAAutoLink" id="LPlnk150931" previewremoved="true">https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.3.033210</a></p>
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<p>Greetings,</p>
<p>Iurii</p>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
<span style="font-family:Cambria,Georgia,serif">Dr. Iurii TIMROV</span><br>
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<span style="font-family:Cambria,Georgia,serif"></span><a href="http://people.epfl.ch/265334" tabindex="0" id="LPNoLP"><span style="font-family:Cambria,Georgia,serif">http://people.epfl.ch/265334</span></a><br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Vivek Christhunathan <vivekppn@gmail.com><br>
<b>Sent:</b> Wednesday, April 27, 2022 11:15:21 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum<br>
<b>Subject:</b> [QE-users] Reg - Absorption spectrum study</font>
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<div class="gmail_default" style="font-family:verdana,sans-serif">Hello Everyone,<br clear="all">
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<div class="gmail_default" style="font-family:verdana,sans-serif">I tried to predict the absorption spectrum properties of pure and TM cations -doped TiO2 by using turbo_davidson, turbo_lanczos, and epsilon.x methods. But I could not bring results due to multiple
issues with TDDFT (i.e., PPs issues and metallic properties of the material issues, etc). To study the absorption spectrum of TiO2, I used turbo_eels.x method and produced fine graphs (wavelength vs absorption) whose values (such as maximum absorption point
and absorption edge) are in good agreement with existing DFT work. </div>
<div class="gmail_default" style="font-family:verdana,sans-serif"><br>
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<div class="gmail_default" style="font-family:verdana,sans-serif">I'm wondering if I can use this absorption spectrum results in a research paper. If any of you have done something similar (such as developing an absorption spectrum using the turbo_eels.x approach)
in your DFT work and had it published in a journal, I request you please email me with more details so that I can use it for citation. It would be very helpful for me in my research.</div>
<div class="gmail_default" style="font-family:verdana,sans-serif"> </div>
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<div style="background-color:transparent;margin-top:0px;margin-bottom:0px"><font face="verdana, sans-serif"><span style="background-color:transparent;color:rgb(0,0,0)">T<span class="gmail_default" style="font-family:verdana,sans-serif">hanking you.</span></span></font></div>
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<div style="background-color:transparent;margin-top:0px;margin-bottom:0px"><font face="verdana, sans-serif"><span style="background-color:transparent;color:rgb(0,0,0)"><span class="gmail_default" style="font-family:verdana,sans-serif"></span>Kind Regards,</span></font></div>
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<p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">Vivek Christhunathan</font></p>
<p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">PhD researcher</font></span></p>
<p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">Mechanical Engineering</font></span></p>
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<p class="MsoNormal" align="left"><font face="verdana, sans-serif"><span lang="EN-US"><font color="#000000">National University of Ireland Galway,</font><font color="#3366ff"> </font></span></font><span style="color:rgb(0,0,0);font-family:verdana,sans-serif;background-color:transparent">Ireland</span></p>
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