[Wannier] How to plot hybrid functional bandstrucutre in QE using MLWF?

sheleon sheleonzhang at gmail.com
Tue May 21 05:00:52 CEST 2013


Hi,
Recently, i wanna using the hybrid functionals implemented in QE(5.0.3),
however, the non-self-consistent calculation with required k point can
not be performed using hybrid functionals.
As i know, if i do a scf calculation using a non-shift kpoint like 8 8 8
0 0 0, it contains all the kpoints that i need in the
wannier-interplotation. So, i am wondering how should i read the
electron density and potential generate by the scf calculation and just
output the kpoint that i need (4 4 4) in wannier calculation?
Thanks


Sheleon





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