[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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