[Wannier] spread and wannier_list

Vivek Ranjan vranjan at gmail.com
Thu Jul 31 19:35:59 CEST 2008


Hello,

I am running wannier for a material. This one is giving me a lot of
trouble in terms of getting all the spreads closer to 1. One or two of
them always become closer to 25 angstrom. For a specific k-sampling,
however, I was able to get a satisfactory result. The problem is that
when the change wannier_plot_list the same starts getting a different
spread. For clarity, I put 28-32 in wannier_plot_list and get a
satisfactory spread. However, when I change the parameter (keeping
everything else the same) to 3, 20, the spreads for a couple of WF
changes.  However, the total of WF-centres remain the same.

I was wondering how the spreads are dependent on wannier_plot_list. I
am using wannier90-1.1.

-- 
Thank you and Regards,

Vivek Ranjan
--------------------
NC State University,
Raleigh, NC



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