[Pw_forum] libxc with QE
plgong
plgong at theory.issp.ac.cn
Thu Apr 2 13:32:05 CEST 2015
Dear professor,
Recenetly, I found that tb09 (meta-GGA) can ue used in the version of QE 5.1.2, but when I run an
example, it reported that,
" Error in routine tb09 (1):
need libxc
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine tb09 (1):
need libxc
"
I have used "input_dft='tb09' in my inputfile.
I have no idea about libxc, Do I need to install it? How can I do?
pPlease help me at a time most convenient to you.
Best wishes
P. L. Gong
Addr: Institute of Solid State Physics, Chinese Academy of
Sciences, Hefei, Anhui 230031, China
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Addr: Institute of Solid State Physics, Chinese Academy of
Sciences, Hefei, Anhui 230031, China
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Email: plgong at theory.issp.ac.cn
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