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<font face="Calibri">Dear Gianluca,<br>
<br>
The answer to your question is yes. The important ingredients are the
wavefunctions used to generate the M and A matrices which are read by
Wannier90 and if they come from a DFT+U calculation, then it will be
reflected in the resulting Wannier functions and, hence, the
Hamiltonian matrix in the Wannier function basis.<br>
<br>
Best wishes,<br>
<br>
Arash<br>
</font>
<pre class="moz-signature" cols="72">--
Dr Arash A Mostofi
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>
<br>
Gianluca Giovannetti wrote:
<blockquote
cite="mid:AANLkTinGsFwyRmkSOCu4XeYGHYYUkMKDARLIVhl5Euka@mail.gmail.com"
type="cite">Dear All,<br>
<br>
i have a simple question about results i can get from Wannier90.<br>
<br>
suppose i perform LDA, PBE calculations with PW and then i combine the
output of PW with Wannier90 i can get in the file "..."_hr.dat all the
informations regarding hopping parameters and on-site energy of a set
of bands.<br>
<br>
is this the same when i i perform LDA+U, PBE+U calculations with PW
and then i combine the output of PW with Wannier90?<br>
by this i mean: can i get all the informations regarding hopping
parameters and on-site energy of a set of bands within LDA+U?<br>
<br>
i think this is not possible but i would appreciate if someone can
confirm this statement.<br>
<br>
i thank you in advance.<br>
<br>
Gianluca Giovannetti<br>
<br>
</blockquote>
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