[CP2K-user] [CP2K:12578] Re: unknown subsection KIND of section KIND

alejandro martinez alejo... at gmail.com
Fri Nov 29 15:05:17 UTC 2019


thank you very much travis, sending the calculation I hope that functions

El jue., 28 de nov. de 2019 a la(s) 16:03, Travis (polla... at gmail.com)
escribió:

> 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) 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)
>>> 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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