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

alejandro martinez alejo... at gmail.com
Thu Nov 28 19:48:38 UTC 2019


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 (polla... 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
>>>>
>>> --
>>> You received this message because you are subscribed to the Google
>>> Groups "cp2k" group.
>>> To unsubscribe from this group and stop receiving emails from it, send
>>> an email to c... at googlegroups.com.
>>> To view this discussion on the web visit
>>> https://groups.google.com/d/msgid/cp2k/adf02f9b-7da4-4630-9bcb-b5b25ef05bc5%40googlegroups.com
>>> <https://groups.google.com/d/msgid/cp2k/adf02f9b-7da4-4630-9bcb-b5b25ef05bc5%40googlegroups.com?utm_medium=email&utm_source=footer>
>>> .
>>>
>> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/c2ee89a4-feaf-4d8a-b5be-b7414bcdc1e6%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/c2ee89a4-feaf-4d8a-b5be-b7414bcdc1e6%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191128/4f2f209d/attachment.htm>


More information about the CP2K-user mailing list