[QE-users] Choosing the Right Number of Bands for Wannier90

Stephen Zhang lolzen at berkeley.edu
Wed Dec 23 21:04:51 CET 2020


Hi Everyone,

I'm struggling on choosing a value for the correct number of bands
(num_bands) and number of wannier functions (num_wan). Is there a
systematic way of finding these values? I've typically use the outputs for
scf calculations as my reference, but  from the examples, these don't
always work. Any advice would be appreciated!

Thanks,
Stephen


-- 
*University of California, Berkeley*
*Department of Letter and Sciences*
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