[QE-users] libxc needed for this functional - QE bulid with libxc

Michal Husak Michal.Husak at vscht.cz
Wed Dec 8 15:57:52 CET 2021


Hi

I had successfully compiled  libxc and than recompiled QE 6.8 with the
   --with-libxc-include=\opt\etsf option of the ./configure ....

The final binary differs from the one build without libxc so the 
libxc linking was hopefully successful ...

After requesting SCAN functional I sill get following message:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine set_dft_from_name (2):
      libxc needed for this functional
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

How is it possible with QE build with the libxc ?

Any idea what to check ?

Michal




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