[Pw_forum] Inquires

Yun Wang yun.wang at griffith.edu.au
Mon Jul 1 00:03:21 CEST 2013


Hi Mahmound,

  It's hard to estimate the remaining time to the finish your relaxation
calculations. And you may change your restart model to 'restart' in your
input file to begin your new calculations. They will read the corresponding
files automatically.

Cheers,
Yun


On Mon, Jul 1, 2013 at 7:37 AM, Mahmoud Hammouri <mhm at nmsu.edu> wrote:

>   Hi,
> I have two questions:
> 1)In the case of vc-relax how one can check the relaxation steps, that is
> how can expect the remanning time to finish relaxation?
> 2)If the calculations terminated during the relaxation, how can I begin
> from the last step before it stopped and which are the files should be
> there?
>
>
>  Regards,
>
>
>
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-- 

Dr. Yun Wang
Research Fellow
Centre for Clean Environment and Energy
Griffith School of Environment
Gold Coast Campus, Griffith University
QLD 4222, Australia
Tel:(61-7) 5552 8456
Fax:(61-7) 5552 8067
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