[Pw_forum] convergence can't achieved with QE6.0.2 and 5.4.0

[Lorenzo Paulatto]

On Friday, 5 May 2017 10:30:41 CEST ashkan shekaari wrote:
> Change mixing beta to 0.7
> increase ecutwfc
> Use rrkjus pseudopotential

Dear Ashkan,
I'm a bit surprised, in which way do you think that changing the mixing beta 
or changing pseudopotential could help the convergence of the BFGS relaxation 
algorithm?

kind regards


-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
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