[CP2K-user] CP2K confused by carbon coordinate?
tigg... at gmail.com
Wed Feb 19 02:59:53 UTC 2020
Thank you! The job is running properly now.
On Tuesday, February 18, 2020 at 6:06:11 PM UTC-5, Travis wrote:
> 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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