[CP2K-user] Error in using the BS section

[Marcella Iannuzzi]

As the error message says, you have a typo in the input
BEAT instead of BETA.

The atom kind is defined in the coordinate file, there you can assign the 
different names. 

Regards
Marcella

On Thursday, March 21, 2019 at 3:18:58 AM UTC+1, jia... at gmail.com wrote:
>
> Hi CP2K users:
>
> I'm studying a antiferromagnetic system using BS section, but there seems 
> to be some mistake when I submit my work: non-compatible end of section 
> BETA , File: 'Ni_surface.inp', Line: 128, Column: 1, Chunk: <BEAT>. How can 
> I solve this error?
>
> My BS section is written in the same way as 
> https://github.com/misteliy/cp2k/blob/master/tests/QS/regtest-bs/cu2cl6_m3_clp6cud9.inp . 
> So my another problem is: how does CP2K know which atoms are Ni1 and which 
> ones are Ni2?
>
> Tahnks!
>
> [image: TIM截图20190320230817.png]
>
>
>
>
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