[CP2K-user] [CP2K:16220] something wrong with the section_ROOT

'joey zhang' via cp2k cp2k at googlegroups.com
Fri Nov 12 14:57:58 UTC 2021


Thanks for your help, here is my input file 
在2021年11月12日星期五 UTC+8 下午5:07:09<Matthias Krack> 写道:

> Hi Joey
>
>  
>
> Please, provide the full CP2K input file. Otherwise, one can only guess 
> what the problem is.
>
>  
>
> Matthias
>
>  
>
> *Von:* 'joey zhang' via cp2k <cp... at googlegroups.com> 
> *Gesendet:* Freitag, 12. November 2021 09:28
> *An:* cp2k <cp... at googlegroups.com>
> *Betreff:* [CP2K:16216] something wrong with the section_ROOT
>
>  
>
> Hi, all
>
>   i am new to cp2k, please  forgive me for my questions may be a trival.
>
> when i submit the AIMD task on the server, it died immediately. The 
> cp2k.out presents that  "found an  unknown keyword N in section_ROOT_". I 
> guess it might be something wrong with the pseupotential or basis-set of 
> element N. But i did't find anything wrong.  And i also search the 
> section_ROOT in the manual, i found no results. Have you ever met such 
> problem?
>
> [image: section_ROOT.png]
>
>  
>
> [image: pseupotential.png]
>
>
> best wishes
>
> joey
>
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