[CP2K-user] KIND Error

Daniel Burns dbu... at iastate.edu
Sat Oct 31 00:53:14 UTC 2020


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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