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

[Michal Husak]

Paolo , you are right ...

It is required to add all 3 option in the ./configure to make the build correct

   --with-libxc            (yes|no) Use libXC for some XC functionals (default:
                           no)
   --with-libxc-prefix=DIR Directory where libxc was installed.
   --with-libxc-include=DIR
                           Directory where libxc Fortran headers were
                           installed.

It is not clear from the help, that only adding:
   --with-libxc-prefix=DIR
is not sufficient ...

I had generated now pw.x  3x bigger than standard pw.x accepting the 
SCAN functional ...

Michal

>The final binary differs from the one build without libxc so the
>libxc linking was hopefully successful ...
>
>
>it wasn't:
>
>       Error in routine set_dft_from_name (2):
>       libxc needed for this functional
>
>
>Paolo