[CP2K-user] [CP2K:19902] LIBXC section error on latest versions

[İsmail Eren]

Dear all,

>From what I understand that, in previous versions of CP2K, it is possible 
to add a functional from LIBXC via;
&XC
 &XC_FUNCTIONAL  
&LIBXC
FUNCTIONAL ....
&END LIBXC
 &END XC_FUNCTIONAL
&XC

When I try to same method in CP2K 2023.1 and 2024.1, I get "unknown 
subsection LIBXC of section XC_FUNCTIONAL" error.
When I check for the version of cp2k via; 
cp2k.popt -v | grep "libxc"
 command (in HPC server), I have this output:
cp2kflags: omp libint fftw3 libxc parallel scalapack max_contr=4
   ../tools/toolchain/install/libxc-6.0.0/include -I /../cp2k/cp2k
   e -fpre-include=/../../../math-vector-fortran.h.

Which I believe is LIBXC is already installed with CP2K.

So shortly. how can I make a calculation with a functional from LIBXC?

Thank you and best regards,
Ismail Eren 

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