[Wannier] Symmetry Adopted Wannier Functions

Emad Rezaei sr3qj at virginia.edu
Thu Feb 27 23:42:59 CET 2020


Greetings,
I am trying to wannierize GaAs "s" and "p" orbitals imposing symmetry using
a pretty fine mpgrid 8*8*8, could not get disentanglement procedure
converged within 500 steps though. Since frozen window is not implemented
using site_symmetry I was wondering what parameters could end up converging
? Input and output files are attached.

-- 
Regards
S. Emad Rezaei
University of Virginia
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