Hi all, I'm trying to perform a DFPT calculation using the SCAN functional. I tried to do it using the QE version 6.4.1 first but I ran into the issue about the phonon code with meta-GGA functionals not being available. I was suggested to use another version of QE (5.1.1) to do this calculation. I installed QE (5.1.1) with the libxc (3.0.0). When I run a plane wave scf calculation with SCAN, I get an error saying "SCAN: unrecognized dft". It seems like there is some issue with linking libxc with QE. For linking libxc with QE, I updated the make.sys.in in the install directory by doing DFLAGS+=-D__LIBXC, LD_LIBS+=-L/path_to_libxc_lib/ -lxcf90 -lxc and IFLAGS+=-I/path_to_libxc_include/ and then configured it. I had also tried updating LD_LIBS+= /path_to_libxc_lib/libxc.a and then configuring as per a previous post, but I still got the same error. I have included the configure log file and make.sys file with the email for more information.
I would really appreciate some help with this issue. Thank you in advance. Best regards, *Nupur Mehra* PhD Student | Yue Group Robert Frederick Smith School of Chemical and Biomolecular Engineering Cornell University
make_sys
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config.log
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