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<font face="Calibri">Dear Thanusit,<br>
<br>
The answer to your question strongly depends on your system and
what you're trying to understand. As a first suggestion, you
should look at the paper of Souza et al., Phys Rev B 65, 035109
(2001). There you will find a detailed discussion of
disentanglement and the way in which the choice of energy windows
affects both the localization of the Wannier functions and the
interpolated bandstructure with examples from a number of systems.<br>
<br>
Best wishes,<br>
<br>
Arash<br>
<br>
</font>
<pre class="moz-signature" cols="72">--
Dr Arash A Mostofi
Senior Lecturer and RCUK Fellow
Depts of Materials & Physics
Imperial College London
London SW7 2AZ, United Kingdom
T +44 (0)207 594 8154
F +44 (0)207 594 6757
E <a class="moz-txt-link-abbreviated" href="mailto:a.mostofi@imperial.ac.uk">a.mostofi@imperial.ac.uk</a>
W <a class="moz-txt-link-freetext" href="http://www.cmth.ph.ic.ac.uk/people/a.mostofi">http://www.cmth.ph.ic.ac.uk/people/a.mostofi</a>
</pre>
<br>
On 26/01/2011 04:19, ธนูสิทธิ์ บุรินทร์ประโคน wrote:
<blockquote
cite="mid:NextMessageB58DE292-324A-1383-0187-E6B88DEF54DDt@mail.kku.ac.th"
type="cite">
<pre wrap="">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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