[CP2K-user] [CP2K:14712] Re: Fixed atoms moving

[Rizwan Nabi]

Hi Lenard,
Your GOLD_GEO_OPT-pos-1 does not show any changes in the atomic position as
there no geometry optimization steps done in your case. It should show a
number of steps.

Regards
Rizwan

-------
Dr Rizwan Nabi
Research Associate
Department of Chemistry, The University of Manchester
Oxford Road, Manchester, M13 9PL, United Kingdom
t: +44 (0)742 447 4940
e: rizwa... at manchester.ac.uk


On Mon, Feb 8, 2021 at 10:23 AM ASSIDUO Network <lenardc... at gmail.com>
wrote:

> I can't seem to upload the output file, so if requested I will paste the
> output manually.
>
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