[CP2K-user] k sampling

Elaheh Akhoundi akhoundi... at gmail.com
Mon Jan 4 13:03:36 UTC 2021


Hi all,
I am trying to understand what it means that k sampling is not implemented 
for hybrid functionals. Does it mean that the structure is still treated 
periodically with gamma point or it means  that it is assumed to be a 
closed system without k points taking into the account. I am confused 
because when I print out the Kohn Sham Hamiltonian, there is only one block 
and it seems like there is no list of neighboring cells. 
I would greatly appreciate your help.
Many thanks, 
Elaheh
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