[CP2K-user] KIND Error

[Matt W]

At a guess, I would think weird kind comes from you coordinate input file? 
Is there an atomic type MG2+ there?

Matt

On Saturday, October 31, 2020 at 12:53:14 AM UTC d... at iastate.edu wrote:

> Hello,
>
> I notice that most of the topics on this forum are regarding much more 
> complex issues - BUT - I need some help with the basics.
>
> I'm getting:
>
> Unknown element for KIND <MG2+MG2+C>
>
> I don't see anywhere in my coordinate or topology file any mention of 
> "MG2+"
>
> I have MG in those files and in my cp2k input I have:
>  &KIND MG
>       ELEMENT Mg
>     &END KIND
>
> and
>
>  &QM_KIND Mg
>       MM_INDEX 9723
>     &END QM_KIND
>
> Why am I getting an error referencing MG2+ and why does it look like it's 
> concatenated with another MG and a C?
>
> Thank you,
>
> Dan
>
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