[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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