[CP2K:6852] No &KIND section was possible to associate to the atomic kind <MN>

Henrique Junior henri... at gmail.com
Mon Aug 3 12:59:13 UTC 2015


Thank you for your help, guys, the problem was in my &COORD as S Ling said.
Thanks for the input Rizwan.

2015-08-03 3:47 GMT-03:00 Rizwan Nabi <rizwan... at gmail.com>:

> use this input file
>
>
> On Mon, Aug 3, 2015 at 4:44 AM, Henrique Junior <henri... at gmail.com>
> wrote:
>
>> Looking to perform a Broken Symmetry in a very simple system, like the
>> classic Mn2O2(NH3)8 just to get used to CP2K, if I try to enter two
>> different Mn in my input (calling the firstt Mn1 and the second Mn2 in
>> &KIND) I'm receiving this error:
>>  *** No &KIND section was possible to associate to the atomic kind
>> <MN>.   ***
>>  *** The KIND section were also scanned for the corresponding element
>> <Mn> ***
>>  ***  and for the DEFAULT section but no match was found. Check your
>> input ***
>>  ***
>> file!                                                                 ***
>> In other words, my input is accepting only Mn in &KIND and not as I saw
>> in various examples Mn1, Mn2, Mn3 etc.
>> Input and output attached.
>>
>> Thanks for any help.
>>
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-- 
*Henrique C. S. Junior*
Químico Industrial - UFRRJ
Mestrando em Química Inorgânica - UFRRJ
Centro de Processamento de Dados - PMP
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