[QE-users] Issues with activating OSCDFT calculations in Quantum Espresso
Gaikwad, Kunal
kgaikw4 at uic.edu
Tue Jul 22 16:17:37 CEST 2025
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
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