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

[ashkan shekaari]

Change mixing beta to 0.7
increase ecutwfc
Use rrkjus pseudopotential

On May 5, 2017 12:56 PM, "Paolo Giannozzi" <p.giannozzi at gmail.com> wrote:

> On Fri, May 5, 2017 at 9:26 AM, Q.J.Wang <wangqj1 at 126.com> wrote:
>
> > I use QE6.0 to relax a slab structure,  the total force can't converge,
> > however, when I use the old version QE5.0.2, it works well. The input
> file
>
> ... is incomplete, so unusable. Please provide a complete input and an
> output for 5.0.2 and for 6.0
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
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>
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