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<div class="moz-cite-prefix">On 12/11/12 19:11, E. H. Smith wrote:<br>
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cite="mid:CAAeiJObO7g7G5nFU3WZqqwyXRRTZF0X-utvxjMLwVon=6VzYqQ@mail.gmail.com"
type="cite">
<pre wrap="">Hello,
I have been looking through Wannier90 manual and tutorial but I haven't
been able to find an answer to this question. Is it possible to construct a
site-projected density of states using Wannier90?
Thank you,
E H Smith
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<br>
Hi,<br>
<br>
we have actually implemented it. Explanations about the
implementation can be found in<br>
<br>
<i><i><i><i><i><i>
<li> Richard Korytár , Miguel Pruneda , Javier Junquera
, Pablo Ordejón and Nicolás Lorente <br>
<font color="#006600">
Band selection and disentanglement using maximally
localized Wannier functions: the cases of Co
impurities in bulk copper and the Cu(111) surface </font>
<i>
<br>
J. Phys.: Condens. Matter <b>22</b> (2010) 385601.
</i></li>
</i></i></i></i></i></i><br>
I am attaching the source code and a simple script to compile it.<br>
<br>
The code was developed originally by Richard Korytár (now in KIT,
Germany) and modified to myself to adapt it to version 1.2 of
wannier90. We have tested it with Siesta (Swan) and VASP. Please,
read the instructions in the heading of the main file "wpdos.f90".<br>
<br>
Please, use and pass it on! It is Gnu general public licence 3.0<br>
<br>
Nicolás<br>
<pre class="moz-signature" cols="72">--
Nicolás Lorente
CIN2 (CSIC)
ETSE-2 planta, UAB
08193 Bellaterra, Spain
Tel. +34-935868410</pre>
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