The libxc site has been moved recently to:

https://libxc.gitlab.io/

After download, you have to compile it. Did you do this ?

Then you need to configure wien2k in siteconfig properly for using libxc.



Am 25.03.2024 um 15:29 schrieb Pranjal Nandi:
Dear All,

Hello.

While compiling the 23.2 version, the link mentioned in the pdf (which contains the codes used for the compilation) to install libxc was NOT working (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz <http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz>).

So I tried to download it from other websites and did the compilation. The only errors I saw are as the following.

Fatal Error: Cannot open module file ‘xc_f03_lib_m.mod’ for reading at (1): No such file or directory

compilation terminated.

make[1]: *** [Makefile:176: libxc_mod.o] Error 1

make[1]: Leaving directory '/home/pranjal2/WIEN2K/SRC_lapw0'

make: *** [Makefile:129: para] Error 2

It would be helpful if you could please guide me with the correct link to the libxc (I think it is because of downloading the libxc from other websites and not TDDFT).

I also searched the forum regarding the same but I got comments about a very old version. Hence, I decided to ask the community for your assistance.

Looking forward to your guidance.

Thank you.

With warm regards,

Pranjal



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