[Wannier] disentanglement convergence and frozen window

Elias Assmann elias.assmann at gmail.com
Tue Feb 24 18:59:02 CET 2015


Hi List,

I have figured out what the problem was with my calculation, and have 
only myself to blame.  I closer look at the bandstructure revealed that 
I should have included two more bands in the disentanglement.

Using this (i.e., num_wann = 14, num_bands = 17) and a frozen window, 
Wannier90 works like a charm.


	Elias




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