[CP2K-user] [CP2K:12563] Re: unknown subsection KIND of section KIND

[Travis]

Hi,

In your input file, you labeled &KIND Cu2. In your PDB file, you have the 
only copper atom listed as Cu. These need to match.

-T


On Thursday, November 28, 2019 at 1:11:28 PM UTC-5, alejandro martinez 
wrote:
>
> Thank you for your answer, but in my pdb file the first atom is Cu. not 
> understanding what you mean ... thank you very much
>
> El mié., 27 de nov. de 2019 a la(s) 20:21, Travis (po... at gmail.com 
> <javascript:>) escribió:
>
>> Hi,
>>
>> &KIND Cu2 <- Cu2 isn't in your PDB file. Change to Cu.
>>
>> -T
>>
>>
>> On Wednesday, November 27, 2019 at 7:45:52 PM UTC-5, alejandro martinez 
>> wrote:
>>>
>>> hello how about friends, I have a problem with a calculation I get this 
>>> error I tried many ways to solve it and it still comes out
>>> unknown subsection KIND of section KIND
>>>
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