[gpaw-users] M062X functional

[Janne Hirvi]

Dear GPAW users,

I am using at the moment GPAW 0.9rev9473 and I would like to test performance of M062X functional for my system.
The corresponding functional has been a part of libxc (XC_MGGA_X_M06_2X and XC_MGGA_C_M06_2X) since version 2.0.0 (2012-11-28).
I am not exactly sure which version of libxc my current installation of GPAW includes, but most likely some older one, because I cannot find the corresponding functional.

So, my question is, if the latest GPAW version includes updated libxc or can I just update libxc independently of GPAW version and make those to work together?

Moreover, are there any detailed instructions for setup generation?
Best regards,

Janne Hirvi

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