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
_______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
