<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 15 (filtered medium)"><style><!--
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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link="#0563C1" vlink="#954F72"><div class=WordSection1><p class=MsoNormal>Hi,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>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:<o:p></o:p></p><p class=MsoNormal>DFLAGS = -D_LIBXC -D__INTEL -D__FFTW3 -D__MPI -D__PARA $(MANUAL_DFLAGS)<o:p></o:p></p><p class=MsoNormal>LD_LIBS = -L/volume/NFS/xw213/soft/libxc-2.2.2/lib -lxcf90 –lxc<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>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?<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Best,<o:p></o:p></p><p class=MsoNormal>Xiaoming <o:p></o:p></p><p class=MsoNormal>Postdoc<o:p></o:p></p><p class=MsoNormal>Rutgers University<o:p></o:p></p></div></body></html>