[Pw_forum] problem with hybrid functionals and ionic steps

[Paolo Giannozzi]

On Jan 19, 2010, at 11:28 , Nany wrote:

> However,by using hybrid functionals, I don't know how to control  
> the number of ionic steps, i.e., QE continues in the case that the  
> number of steps is larger than nsteps. What can I do?

This sounds to me very strange, since hybrid functionals have  
strictly nothing to do
with ionic optimization steps. Anyway, you can stop the code when it  
looks converged

> Some suggestions???

do not repost the same question. If nobody answered, maybe your question
wasn't well posed, so you might at least try to ask the same question  
in a
different way

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222