[CP2K-user] CP2K confused by carbon coordinate?

Ben Rich tigg... at gmail.com
Tue Feb 18 21:20:36 UTC 2020


Hello,

I am attempting to run a simple geometry optimization and I am strangely 
getting an error of "Unknown element of kind <C   >," or "Unknown element 
of kind <C   1.753420>," where 1.753420 is just the x coordinate of some 
carbon. It seems that cp2k is having trouble distinguishing the element 
kind with the follow spaces and coordinates. Is there a known solution to 
this problem?

Regards,
Ben Rich


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