[Pw_forum] Relax output

Andrei Malashevich andrei.malashevich at yale.edu
Tue May 28 03:58:01 CEST 2013


Dear Yantao,

Atomic positions ARE printed at the end of each ionic step. Otherwise,
there would be no point in relaxation calculations, wouldn't it?
My guess is that you are confusing SCF iterations with ionic iterations.

Best regards,
Andrei Malashevich

Postdoctoral Associate
Department of Applied Physics
Yale University


On Mon, May 27, 2013 at 5:39 PM, Yantao Wu <ywu at g.hmc.edu> wrote:

> Dear QE,
>
> I'm wondering how to print the atomic positions at the end of each
> iteration. Verbosity being "high" doesn't seem to help. Any ideas?
>
> Thanks,
> Yantao Wu
>
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