[CP2K:6849] No &KIND section was possible to associate to the atomic kind <MN>

S Ling lingsa... at gmail.com
Sun Aug 2 23:43:40 UTC 2015


You should have Mn1/Mn2 in your &COORD section if you specify &KIND Mn1 and
&KIND Mn2.

SL


On 3 August 2015 at 00:14, 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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