[Q-e-developers] ACE allows us to plot band structures of Hybrid functionals ?

[nisihara225 at gmail.com]

Dear QE’s developers,

I am studying ACE (Lin Lin, JCTC 2016, 12, 2242), now.
And I have one question: May ACE allow us to plot band structures of hybrid functionals ?
Once the projection vector of ACE (Eq(14) of JCTC2016) is constructed,
the exact-exchange operator is independent of all the wave functions in the Fermi sea.
Then, I suggest saving the projection vector to storage after SCF calculation and
reading it before NSCF calculation. One can set arbitrary k-points in NSCF.
This scheme is similar to non-local potential of PAW or density matrix of LDA+U.
I would like to hear your opinions on this idea.

Best Regards,
Satomichi Nishihara

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