[Pw_forum] Relax output

[Yantao Wu]

Dear Andrei,

Thank you for your suggestion. I think that is where I'm confused. My
calculation ended prematurely before the first ionic step, so I didn't see
any atomic positions.

Thanks,
Yantao "ignorant undergraduate" Wu


On Mon, May 27, 2013 at 6:58 PM, Andrei Malashevich <
andrei.malashevich at yale.edu> wrote:

> 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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>
>
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