[CP2K-user] [CP2K:17243] Anyone know about LibXC TB09 implementation?

[Nicholas Winner]

Does anybody happen to know how to properly use the LIBXC implementation of 
the TB09 meta GGA exchange functional? I've applied it to GaAs with tight 
k-point sampling and the resultant DOS still has a band gap of ~0.7 eV when 
the literature shows TB09 should give ~1.5eV

I've accessed it using 

&XC_FUNCTIONAL
  &MGGA_X_TB09
  &END
  &LDA_C_PW
  &END
&END

The TB09 MGGA has a self consistent solution for the parameter "c" in the 
original implementation, is that not being done here?

Not too familiar with how libxc works under the hood but maybe someone else 
does.

-Nick

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