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Dear Kunal, </div>
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Please indicate your affiliation. </div>
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To answer your question, please provide more details as explained here (see "Posting guidelines"):</div>
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<a href="https://www.quantum-espresso.org/users-forum/">https://www.quantum-espresso.org/users-forum/</a></div>
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Greetings,</div>
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Iurii</div>
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Dr. Iurii TIMROV</div>
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Tenure-track scientist</div>
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Laboratory for Materials Simulations (LMS)</div>
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Paul Scherrer Institut (PSI)</div>
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CH-5232 Villigen, Switzerland</div>
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+41 56 310 62 14</div>
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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 Gaikwad, Kunal via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Tuesday, July 22, 2025 16:17<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] Issues with activating OSCDFT calculations in Quantum Espresso</font>
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Hi QE community,</div>
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I am facing issues while trying to activate OSCDFT calculations in Quantum Espresso.</div>
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<span style="color:rgb(0,0,0)">I need to use charge-constrained DFT calculations in Quantum Espresso. I added the D_OSCDFT flag in DFLAGS in the
</span><span style="color:rgb(0,69,172)"><u><a rel="noopener nofollow ugc" class="x_relative x_pointer-events-auto x_a x_cursor-pointer x_underline x_OWAAutoLink x_elementToProof" id="OWA30a6804c-9c19-d05f-97a1-ab05139a5513" target="_blank" href="http://make.inc/" style="color:rgb(0,69,172); margin-top:0px; margin-bottom:0px; text-align:left">make.inc</a></u></span><span style="color:rgb(0,0,0)"> file
and remade all of the executables including pw.x in a different folder. Still the OSCDFT card in my input file is being ignored by pw.x when running the OSCDFT calculation using the remade pw.x executable.</span></div>
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I would like to know if anyone has any idea on how to fix this issue.</div>
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Thanks,</div>
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Kunal</div>
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