[CP2K-user] Error in using the BS section

Marcella Iannuzzi marci... at gmail.com
Thu Mar 21 08:13:28 UTC 2019

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. 


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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