<div dir="ltr"><div>Dear Sandeep, try with finite displacement method using Quantum Espresso and Phonopy code.</div><div><br></div><div>Best</div><div><br></div><div>Arles V.</div><div>Instituto de Física La Plata</div><div>La Plata - Argentina<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">El mar., 21 jul. 2020 a las 16:55, Sandeep KUMAR (<<a href="mailto:sandeepk.phy@gmail.com">sandeepk.phy@gmail.com</a>>) escribió:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear <span style="color:rgb(0,0,0);white-space:pre-wrap">Lorenzo,</span><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap">Thanks for the response. But Raman and IR spectra calculations are implemented in CRYSTAL17 code but only for PBE0 and B3LYP.</span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap">kind regards</span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap">Sandeep</span></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jul 21, 2020 at 6:05 PM Sandeep KUMAR <<a href="mailto:sandeepk.phy@gmail.com" target="_blank">sandeepk.phy@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Dear QE users,<div>I have calculated Raman and IR spectra for ZnO and CO2, examples provided by QE and I think QE works well for semi-local functionals but I am wondering about the hybrid functionals for Raman spectra. Is it implemented in QE? Can someone let me know about it?</div><div><br></div><div>Thanks and regards</div><div><br></div><div>Sandeep</div><div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div>Dr. Sandeep Kumar (Postdoctoral Research Fellow)<div>Physics and Materials Science Research Unit</div><div>University of Luxembourg</div><div>162a, avenue de la Faïencerie</div><div>L-1511 Luxembourg</div></div></div></div></div></div></div></div></div></div>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div>Dr. Sandeep Kumar (Postdoctoral Research Fellow)<div>Physics and Materials Science Research Unit</div><div>University of Luxembourg</div><div>162a, avenue de la Faïencerie</div><div>L-1511 Luxembourg</div></div></div></div></div></div></div></div>
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