[CP2K-user] [CP2K:19829] parameters section in libxc

[KENNETH MEI]

Hi all,

I am currently using cp2k version 7.1 and am attempting to run calculations 
using the wLRC-PBE functional. From my understanding this functional is 
only accessible through libxc (version 4.2) as this version is installed 
through the HPC cluster I use. Since the wLRC-PBE takes in the adjustable, 
omega, is the default set to the recommendations in the publication (
https://doi.org/10.1063/1.3073302) as referred to in the libxc 
documentation? Additionally, how do I adjust the omega parameter in this 
version of cp2k? From the documentation 
(https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/ATOM/METHOD/XC/XC_FUNCTIONAL/LIBXC.html), 
the only place I can see to do it would be the "PARAMETERS" keyword 
although it is unclear to me if this is the correct place to do it as there 
is not specific information on units or whether I input a single number or 
list of numbers. Does anyone have any ideas on where to adjust this 
parameter in this version of cp2k?

Thanks,
Ken


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