[QE-users] Using latest libxc functionals in QE?

[Joonho Lee]

Hello QE developers and users,

I am trying to get the TASK functional to run through QE 6.6 or 6.7.
This is available under "MGGA_X_TASK (id=707): TASK exchange of Aschebrock
and Kuemme" in libxc 5.1.4.

When I try to use this functional in QE through input_dft = "MGGA_X_TASK",
it crashes with an error message that says "     MGGA_X_TASK: unrecognized
dft". Older functionals such as LDA_X just run fine. I had found a QE user
post
<https://lists.quantum-espresso.org/pipermail/users/2020-June/045030.html> on
using BEEF-vdw through libxc. The post seems to suggest that QE is not
always up-to-speed with libxc functionals... Is it still the case in 6.6
and 6.7?

If so, which file should one try to look into and modify to use new
functionals that are available in libxc? Thank you for your help.

Best,
Joonho
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