[Wannier] Band disentanglement Energy windows

ธนูสิทธิ์ บุรินทร์ประโคน thanusit at kku.ac.th
Wed Jan 26 05:19:32 CET 2011


Dear Wannier90 users

I'm trying to perform the band structure interpolation from Wannier
functions, using Wannier90 interfaced to the Abinit package. I've found
that the interpolated band structure is strongly dependent on the
disentanglement energy windows (Wannier90's input parameters:
dis_win_min, dis_win_max, dis_froz_min, and dis_froz_max).  I'd like to
ask, for a given number of Wannier functions and a numbers of bands
entering the interpolation, how we theoretically select these energy
windows?

Kind regards,
Thanusit
Dr Thanusit Burinprakhon
Physics Department, Faculty of Science
Khon Kaen university
Khon Kaen, Thailand
40002

tel 00 66 4320-2222 ext. 2248
mobile  00 66 86-8620510



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