[QE-users] Issues with activating OSCDFT calculations in Quantum Espresso

[Timrov Iurii]

Dear Kunal,

Please indicate your affiliation.

To answer your question, please provide more details as explained here (see "Posting guidelines"):
https://www.quantum-espresso.org/users-forum/

Greetings,
Iurii

----------------------------------------------------------
Dr. Iurii TIMROV
Tenure-track scientist
Laboratory for Materials Simulations (LMS)
Paul Scherrer Institut (PSI)
CH-5232 Villigen, Switzerland
+41 56 310 62 14
https://www.psi.ch/en/lms/people/iurii-timrov
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Gaikwad, Kunal via users <users at lists.quantum-espresso.org>
Sent: Tuesday, July 22, 2025 16:17
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] Issues with activating OSCDFT calculations in Quantum Espresso

Hi QE community,

I am facing issues while trying to activate OSCDFT calculations in Quantum Espresso.
I need to use charge-constrained DFT calculations in Quantum Espresso. I added the D_OSCDFT flag in DFLAGS in the make.inc<http://make.inc/> 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.
I would like to know if anyone has any idea on how to fix this issue.
Thanks,
Kunal
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250723/303c42b0/attachment.html>