RUN_TYPE GEO_OPT without the &MOTION section

Vladimir Rybkin rybk... at gmail.com
Thu Oct 27 12:04:00 UTC 2016


Dear Megha, 

this will perform the optimization with the default settings, as you have 
anticipated.

Yours,

Vladimir

понедельник, 24 октября 2016 г., 18:18:27 UTC+2 пользователь Megha Anand 
написал:
>
> Dear CP2K users,
>
> What will the program do if I specify RUN_TYPE as GEO_OPT for a but do not 
> provide the MOTION section. Will it do the geometry optimization with the 
> default settings? 
>
> Thanks for answering my question.
>
> Best regards,
> Megha
>
>   
>
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