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<font face="Calibri">Dear Yun-Peng,<br>
<br>
I believe that the Wannier functions are normalized to the volume
of the unit cell. In other words, if you sum the squares of the
values of the WF on the grid, and scale the result by the volume
associated with each grid point, then you should obtain the volume
of the unit cell. This should be easy for you to check.<br>
<br>
Best wishes,<br>
<br>
Arash<br>
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<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>
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<br>
On 04/03/2011 08:12, Yunpeng Wang wrote:
<blockquote
cite="mid:AANLkTikwDbp+zDyAJ7LFwwTCNaiQa1nvOpCCNNv2UEZ=@mail.gmail.com"
type="cite">Hello all:<br>
<br>
In my calculation, the shape of wannier function is needed. As it
known, with wannier_plot=.true., the wannier function is plotted
as a scalar field in regular mesh. My question is: <br>
<br>
what is the value at each point?<br>
<br>
best wishes,<br>
Yun-Peng<br clear="all">
<br>
-- <br>
<b style="color: rgb(0, 0, 153);">Yunpeng Peter Wang</b><br>
</blockquote>
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