[Pw_forum] Controlling the convergence threshold of the exchange error in HSE calculation

[Robert Hembree]

Hi Quantum Espresso users, 

I am currently doing HSE calculations for a system I am working on. I have
been having a hard time finding the input parameter to control the
convergence of the exchange term. After each converged SCF cycle QE prints
out this line"
est. exchange err (dexx)  =       0.00000002 Ry
I have found in my calculations, and for the properties I am interested in I
can get away with the dexx being larger and considering the calculation to
be complete. I want to set the convergence criteria for dexx to be larger
than it currently is. I have looked into the source code and the input
descriptions webpage and have not been able to figure out how I would do
this.

 

Thanks in advance

 

Robert Hembree

Grad Student

Quantum Theory Project

University of Florida

(sorry if I double posted)

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