<div dir="auto"><div>Hi Purinut,</div><div dir="auto"><br></div><div dir="auto">Did you able to find dielectric function of the materials? If yes, is it at temperature of 0K or room temperature?</div><div dir="auto"><br></div><div dir="auto">Best</div><div dir="auto">Md Jahid Hasan</div><div dir="auto">University of Maine, USA<br><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Tue, Apr 11, 2023, 1:20 PM PURINUT SAE-FU <<a href="mailto:purinut.saf@student.mahidol.ac.th">purinut.saf@student.mahidol.ac.th</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">
<div style="font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;color:rgb(0,0,0);background-color:rgb(255,255,255)">
<span style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">Dear
<span style="font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;font-size:15px;display:inline!important;color:rgb(36,36,36);background-color:rgb(255,255,255)">
Lorenzo</span></span>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
<br>
</div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
Thank you very much for introducing the NCPP download link. After you mentioned looking in the TDDFT package,
<span style="display:inline!important;background-color:rgb(255,255,255)">
<span> </span>from the mail archive, </span>I found that the epsilon is printed in the output obtained by the turbo_eels.x code. However, the paw pseudopotential cannot be used in the <span style="display:inline!important;background-color:rgb(255,255,255)">turbo_eels.x.
By the way, I have got 2 methods to calculate the dielectric functions. I'm delightful.</span></div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
<br>
</div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
Best regards,</div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
<br>
</div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
<span style="font-size:14.6667px;font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;margin:0px;display:inline!important;color:rgb(36,36,36);background-color:rgb(255,255,255)">PURINUT
SAE-FU</span><br style="font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;font-size:14.6667px;color:rgb(36,36,36);background-color:rgb(255,255,255)">
</div>
<div style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)">
<span style="font-size:14.6667px;font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;margin:0px;display:inline!important;color:rgb(36,36,36);background-color:rgb(255,255,255)">Ph.D.
Student</span><br style="font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;font-size:14.6667px;color:rgb(36,36,36);background-color:rgb(255,255,255)">
</div>
<span style="font-size:12pt;margin:0px;background-color:rgb(255,255,255)"><span style="font-size:14.6667px;font-family:"Segoe UI","Segoe UI Web (West European)","Segoe UI",-apple-system,BlinkMacSystemFont,Roboto,"Helvetica Neue",sans-serif;margin:0px;display:inline!important;color:rgb(36,36,36);background-color:rgb(255,255,255)">Department
of Physics, Faculty of Science, Mahidol University, Thailand</span></span><br>
</div>
<div id="m_4754930152800960579appendonsend"></div>
<hr style="display:inline-block;width:98%">
<div id="m_4754930152800960579divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <<a href="mailto:users-bounces@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users-bounces@lists.quantum-espresso.org</a>> on behalf of Lorenzo Bastonero <<a href="mailto:lbastone@uni-bremen.de" target="_blank" rel="noreferrer">lbastone@uni-bremen.de</a>><br>
<b>Sent:</b> Tuesday, April 11, 2023 7:58 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <<a href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a>><br>
<b>Subject:</b> Re: [QE-users] About the calculation of dielectric function by using QE package</font>
<div> </div>
</div>
<div style="word-wrap:break-word;line-break:after-white-space">Dear Purinut,
<div>
<div>
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;word-wrap:break-word;line-break:after-white-space">
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;word-wrap:break-word;line-break:after-white-space">
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;word-wrap:break-word;line-break:after-white-space">
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;word-wrap:break-word;line-break:after-white-space">
<div dir="auto" style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;word-wrap:break-word;line-break:after-white-space">
<div><br>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<div>
<blockquote type="cite">
<div>
<div style="font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;background-color:rgb(255,255,255)">
</div>
<div style="font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;font-family:Calibri,Arial,Helvetica,sans-serif;font-size:12pt;background-color:rgb(255,255,255)">
<span style="background-color:rgb(255,255,255);display:inline!important">but I cannot find the NCPP files. I would like to ask 1) Where can I get the NCPP files? 2) Is there a way to calculate the dielectric function of the material
that applied PAW pseudopotential?</span></div>
</div>
</blockquote>
<br>
</div>
<div>1.) Did you try looking here <a href="http://www.pseudo-dojo.org/" target="_blank" rel="noreferrer">http://www.pseudo-dojo.org/</a> ? You should be able to find what you need.</div>
<div>2.) If it can be of any help, you can try looking if PAW is implemented in the TDDFT package and compute it from there. </div>
<div><br>
</div>
<div>HTH,</div>
<div>Lorenzo </div>
<br>
</div>
<div>
<div>********************************</div>
<div>Lorenzo Bastonero</div>
<div><br>
</div>
<div>PhD Student</div>
<div>U Bremen Excellence Chair,<br>
Bremen Center for Computational Materials Science,<br>
and MAPEX Center for Materials and Processes</div>
<div><br>
</div>
<div>University of Bremen</div>
<div>Faculty of Production Engineering</div>
<div>TAB-Building, Room 3.32</div>
<div>Am Fallturm 1</div>
<div>28359 Bremen, DE</div>
<br>
<a href="http://www.hmi.uni-bremen.de/" target="_blank" rel="noreferrer">http://www.hmi.uni-bremen.de/</a></div>
</div>
</div>
_______________________________________________<br>
The Quantum ESPRESSO community stands by the Ukrainian<br>
people and expresses its concerns about the devastating<br>
effects that the Russian military offensive has on their<br>
country and on the free and peaceful scientific, cultural,<br>
and economic cooperation amongst peoples<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer noreferrer" target="_blank">www.max-centre.eu</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank" rel="noreferrer">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div></div></div>