[CP2K-user] [CP2K:21474] D3 exclusion of certain pair

[Dmitry Zakiryanov]

Dear CP2K users, 

My system contains several atom kinds: Ni, Li, Cl, K.
I need to exclude dispersion correction for Ni-Ni.
D3_EXCLUDE_KIND_PAIR keyword require two integer values. 
What does these integers mean? Is these are ordinal numbers of atoms in a 
cell? 
So if Ni atoms are 1...100, I need to do something like this?:

*D3_EXCLUDE_KIND_PAIR 1 1*
*D3_EXCLUDE_KIND_PAIR 1 2*
*...*
*D3_EXCLUDE_KIND_PAIR 100 100*

Unfortunately, I do not found detailed explanation on D3_EXCLUDE_KIND_PAIR 
keyword. 
These integers are called "kind1" and "kind2" in the manual so it seems 
like my suggestion is wrong. However, I cant understand how can a certain 
atom kind be reffered to as an integer.


Sincerely yours,
Dmitry Zakiryanov

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