[Pw_forum] What is the exact criteria for scf convergence?

[MKondrin]

Emine Kucukbenli wrote:
> Hi M,  The parameter in play here is called "upscale", take a look at 
> the description of it in input parameters list. (Also for big systems 
> one might want to keep in mind that conv_thr is an extensive quantity) 
> cheers - emine
>

Thank you!

I get it -- "upscale" parameter makes the convergence threshold finer in 
the process of relaxation, so that after several steps it is less than 
that in the first step. Indeed it is better to set conv_thr to more 
coarse value.