[CP2K-user] Question about usage of libxc

Yike Huang ykhua... at gmail.com
Fri Aug 14 04:15:02 UTC 2020


Greetings, cp2k users.

I want to use rpbe functional in my calculation, after reading manual I 
find I should use libxc cuz rpbe is not implemented directly in cp2k. 
However, when I am reading input files in test/, I find there are examples 
in which only exchange term is defined, so I wonder how will cp2k calculate 
the correlation term? Will it use original LDA?
Answers will be appreciated, thanks in advance. 

Huang Yike 
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