[QE-users] HSE band structures

Shivesh Sivakumar shiveshsivakumar at gmail.com
Thu May 28 09:46:39 CEST 2020


Dear users,

As I gather that hybrid functional bandstructures (like that of HSE06)
cannot be plotted in the traditional way in QE, I'm looking at other
options. I was wondering if the 'fake scf' procedure (similar to the one in
VASP) works in QE? Where we manually add the k-points grid to the end of
the file after an scf calculation (with weights zero)?

I am given to understand that the optimal way to approach is is to generate
MLWFs but I was wondering if the above procedures serve as an alternative.

Best,
Shivesh Sivakumar
University of Washington-Seattle
Seattle, WA - 98105
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