[Wannier] Si band structure

Emad Rezaei sr3qj at virginia.edu
Mon Oct 21 23:16:55 CEST 2019


Greetings,
I have been trying to reproduce Si band structure calculated by QE and
compare it to wannier90. After wannierization wave vectors get extended a
little bit compared to first-principles'. I choose the same exact KPOINT
path for both calculations. I was just wondering if you could please help
me out?
Files are attached. Si_band.gnu are developed by wannier90 and
BANDX.dat.gnu by QE. As you can see KPOINTS are not matching in length!

-- 
Regards
S. Emad Rezaei
University of Virginia
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