[QE-users] new qe superfeatures

[Aleksandra Oranskaia]

Hello dear users and developers,

1) I just noticed a new feature with additional k-points for getting exx
band dispersions. I am a bit confused: previously one had to use wannier90
trick for exx bands (
https://mattermodeling.stackexchange.com/questions/1176/calculating-hse06-band-structures-on-quantum-espresso)
as the bands require nscf calculations that were not doable with hybrid
functionals in qe.
If now exx bands are possible to plot without the trick - can any basic
example be provided? Please.

2) Among new features "pdos in local basis" is mentioned. What exactly is
meant here? Is any example available?

Many thanks for your response!

-- 
Best wishes,
Alex (she/her/hers),
phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/

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