Hello, I suggest you to have a look at section 2.6.1 of the user_guide (Doc folder) and try the options suggested. If you still have troubles let me know.
Cheers, Fabrizio On Wed, Dec 8, 2021 at 3:57 PM Michal Husak <michal.hu...@vscht.cz> wrote: > 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 > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users >
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