[CP2K-user] [CP2K:12575] Re: unknown subsection KIND of section KIND

Travis polla... at gmail.com
Thu Nov 28 21:03:44 UTC 2019


Hi,

You're also missing &END KIND for &KIND H.

-T



On Thursday, November 28, 2019 at 3:25:47 PM UTC-5, alejandro martinez 
wrote:
>
> hello how about travis, I tell you that the error is still there, I don't 
> know what else to do
>
> El jue., 28 de nov. de 2019 a la(s) 14:48, alejandro martinez (
> al... at gmail.com <javascript:>) escribió:
>
>> thank you very much friend ... I know what you mean, I will send the 
>> calculation and then I will tell you how it goes ... greetings
>>
>> El jue., 28 de nov. de 2019 a la(s) 13:59, Travis (po... at gmail.com 
>> <javascript:>) escribió:
>>
>>> 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) 
>>>> 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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>>>>> .
>>>>>
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>>> .
>>>
>>
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