[QE-users] SCAN Functional not recognized in DOS.x

Jing Lian Ng jinglian at utexas.edu
Tue Sep 19 21:16:08 CEST 2023


Hello Dr Ruffino,

I took your advice and recompiled QE7.1 with the new funct.f90, but DOS.x
still gives the same result where only RVV10 functional is being
implemented. I attached the changes and recompilation step below, would you
kindly advise on what I have missed?

################Funct.f90###############
      ELSEIF (inlc==26) THEN
        !
        shortname = xclib_get_dft_short()
        shortname = TRIM(shortname)//'-'//TRIM(nonlocc(26))
        !
      ENDIF

######### Recompilation ###################
./configure --with-libxc=yes --with-libxc-prefix=$HOME/libxc-5.2.3-static
--with-environ=$HOME/Environ/
make all


Best,
Jing Lian Ng
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