[Pw_forum] pbe0-lattice parameter

[Paolo Giannozzi]

ali kazempour wrote:

> I want to switch from PBE calculation  to PBE0 functional . I don't know 
> in addition to optimization of NQs , should I reoptimaize all of the 
> parameter like number of kpoints, and ecut and the lattice parameter or  
> the perviuos values is enough?

hard to say. You may start with the same parameters, optimized the
nq's, then verify afterwards if your results are sufficiently converged

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy