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<p class="MsoNormal">Thank you very much</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Envoyé à partir de <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Courrier</a> pour Windows</p>
<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="border:none;padding:0cm"><b>De : </b><a href="mailto:lorenzo.paulatto@cnrs.fr">Lorenzo Paulatto</a><br>
<b>Envoyé le :</b>dimanche 9 avril 2023 21:26<br>
<b>À : </b><a href="mailto:users@lists.quantum-espresso.org">Quantum ESPRESSO users Forum</a>;
<a href="mailto:hamza_bouafia@hotmail.com">BOUAFIA HAMZA</a>; <a href="mailto:users@lists.quantum-espresso.org">
users@lists.quantum-espresso.org</a><br>
<b>Objet :</b>Re: [QE-users] Phonon calculations</p>
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-bottom:12.0pt">Yes.<br>
If you still have the dynamical matrix files, just make a copy of them, then open the first one with a text editor, there is a line with a single T in it. Change it to an F. Then remove the following few lines which contain the static dielectric matrix and
effective charges. Save the file and redo q2r and matdyn.<br>
<br>
If you do not have the files, you cane reconstruct then with matdyn and q2qstar.<br>
<br>
hth<o:p></o:p></p>
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<p class="MsoNormal">On April 9, 2023 8:59:38 p.m. GMT+02:00, BOUAFIA HAMZA <hamza_bouafia@hotmail.com> wrote:<o:p></o:p></p>
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<p class="MsoNormal" style="background:white"><span style="font-size:12.0pt;color:black">Hi,<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-size:12.0pt;color:black">is it possible to disable LOTO splitting without redoing the phonon calculation ?(restart from an existing LOTO calculations)<o:p></o:p></span></p>
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<p class="MsoNormal" style="background:white"><span style="font-size:12.0pt;color:black">Sincerely<o:p></o:p></span></p>
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