[CP2K-user] Error in using the BS section

[jiaj... at gmail.com]

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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