Hi,
Did anyone successfully compile qe-5.3.0 with libxc? I am trying to using the tb09 functional which needs libxc library. I installed libxc-2.2.2 and compiled qe by modified the make.sys by the following two lines: DFLAGS = -D_LIBXC -D__INTEL -D__FFTW3 -D__MPI -D__PARA $(MANUAL_DFLAGS) LD_LIBS = -L/volume/NFS/xw213/soft/libxc-2.2.2/lib -lxcf90 -lxc The compilation seems successful. I mean there are no errors. But when I do a test calculation on silicon by enforcing the tb09 functional using "input_dft = 'tb09' " in the input, it stops and prints out the error with 'Error in routine tb09 (1): need libxc'. So it seems the libxc is not well linking. Does anyone know what's going on? Best, Xiaoming Postdoc Rutgers University
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