[CP2K-user] [CP2K:20498] Re: Why did CP2K run Geometry Optimization with no motion subsection?

[rashe...@gmail.com]

Hi Frederick,

Thanks. I am aware of the settings for Geo_Opt, but I am curious to know 
how cp2k performed the geometry optimization process in the incomplete 
input file I ran which completely missed any geometry optimization settings 
apart from the run type. 
Did cp2k assume the defaults on its own (even though I did not define the 
&MOTION subsection)? 

eftrsd

On Thursday, July 25, 2024 at 6:54:49 PM UTC+3 Frederick Stein wrote:

> Dear eftrsd,
> They are provided in the manual (see 
> https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/GEO_OPT.html for further 
> reference). You should also find some information on the relevant 
> parameters in the output file.
> HTH,
> Frederick
>
> rashe... at gmail.com schrieb am Donnerstag, 25. Juli 2024 um 17:44:42 UTC+2:
>
>> Hi,
>>
>> I accidently ran a geometry optimization job (RUN_TYPE GEO_OPT) without 
>> declaring the motion subsection at all. To my surprise, the output showed a 
>> completed optimization with all criteria satisfied. 
>> Out of curiosity, what settings did cp2k assume when it ran the job?
>>
>> Thanks,
>> eftrsd
>>
>

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