[Pw_forum] Getting value of mixing_beta

[Manu Hegde]

Hi Ganjar,

Mixing beta is a mere approximation (If I am not wrong) to generate the
charge density in each iterations (Kohn-Sham equation). It is usually
between 0.4 to 0.8. I do not think you have to be very precise on it though!

Good Luck,
Manu


On Fri, Jan 31, 2014 at 11:00 AM, Ganjar Kurniawan <zargan88 at yahoo.com>wrote:

> Dear QE users
>
> I have doing vc-relax process of my system, when SCF process, the
> calculation is not converge after all. I think the problem is on the
> mixing-beta value.  (input and output file are attached)
> my question is how to get the suitable value of mixing_beta for mine or
> any system without doing try and error calculation???
>
> any response is greatly appreciated
>
>
> Ganjar Kurniawan
>
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