[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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