[CP2K-user] Issue with atom kind in QM/MM

[Marcella Iannuzzi]

Hi Rahul, 

have you also tried by adding the KIND H?
Regards
Marcella

On Monday, April 12, 2021 at 6:05:15 AM UTC+2 rah... at gmail.com wrote:

>
>
> Hello everyone,
>    I am new in CP2k and trying to do a QMMM calculation, while doing so I 
> am getting the following error which, I tried to rectify by looking at some 
> examples but couldn't able to figure it out. 
>
>
> *******************************************************************************
>  *   ___                                                                  
>      *
>  *  /   \                                                                  
>     *
>  * [ABORT]  No &KIND section was possible to associate to the atomic kind 
> <H>. *
>  *  \___/    The KIND section were also scanned for the corresponding 
> element  *
>  *    |    <H>  and for the DEFAULT section but no match was found. Check 
> your *
>  *  O/|                                 input file!                        
>     *
>  * /| |                                                                    
>     *
>  * / \                                                    
> qs_kind_types.F:1514 *
>
>  *******************************************************************************
>
> I am hereby attaching the input and output files for reference.
>
> Thanks in advance.
>
> Regards
> Rahul
>
>
>
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