[Pw_forum] Convergence issues

[Yantao Wu]

I confess embarrassingly: no, I hadn't. Now that I have and have changed
the mixing_beta from 0.7 to 0.3, it converges. But why did that help? Why
using less of the new density would help with the convergence? Does this
mean I should always use 0.3 mixing_beta instead of 0.7? (I'm sorry. I'm a
college sophomore and am very new to solid state physics.)

Thank you very much,
Yantao "ignorant ignorant" Wu


On Thu, May 30, 2013 at 2:00 AM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> On Wed, 2013-05-29 at 18:48 -0700, Yantao Wu wrote:
>
> > But I have difficulty in the scf convergence
>
> you haven't read the FAQ, have you?
>
> P.
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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