[CP2K-user] CP2K confused by carbon coordinate?
polla... at gmail.com
Tue Feb 18 23:06:11 UTC 2020
Some of your atoms have a tab instead of spaces after them. Probably
getting hung up on that.
On Tuesday, February 18, 2020 at 5:20:36 PM UTC-4, Ben Rich wrote:
> 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?
> Ben Rich
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