[CP2K-user] Fwd: Issue with atom kind in QM/MM
Rahul Verma
rahul.v... at gmail.com
Mon Apr 12 04:04:30 UTC 2021
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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