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libxc_on_matlab.txt
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libxc_on_matlab.txt
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Libxc is required for rsFEM-DFT.
https://tddft.org/programs/libxc/
Instructions for running Libxc in rsFEM-DFT:
install libxc as shared (use gcc comand "enable-shared" that produces .so libraries instead of .a)
./configure --prefix=/PATH/TO/LIBXC --enable-shared
Following step has two alternatives:
(I) lib folder and include folder and bin folder have to be copied to to usr/local and merged with lib and include and bin folders there.
(II) If former alternative (I) is deemed an unnecessarily spread-out solution, copy files from /PATH/TO/LIBXC/include to /PATH/TO/rsFEM-DFT. Then in xc.h file, change #include <xc_version.h> to #include "xc_version.h".
Files in the libxc lib folder (or lib64 folder depending on different OS) shall be copied to matlab lib folder.
sudo cp /home/aybars/Downloads/libxc-5.1.7/lib/libxc.so /home/aybars/matlab/bin/glnxa64
sudo cp /home/aybars/Downloads/libxc-5.1.7/lib/libxc.so.9 /home/aybars/matlab/bin/glnxa64
sudo cp /home/aybars/Downloads/libxc-5.1.7/lib/libxc.so.9.1.7 /home/aybars/matlab/bin/glnxa64
gcc version must be 9.3.0 (compatible with matlab 2021 for linux)
add -lxc to compile configuration list.
MEX compiler version shall be selected as R2018.
An example is as follows:
mex('-R2018a','-lxc','gga_pbe_c.c');