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In a first step, did you look at this paper for Robert Laskowski and
Peter Blaha? <br>
<br>
<a class="moz-txt-link-freetext" href="http://publik.tuwien.ac.at/files/PubDat_188807.pdf">http://publik.tuwien.ac.at/files/PubDat_188807.pdf</a><br>
<br>
It could be a very good idea to first reproduce one of their
results. <br>
<br>
Then you will know if the procedure you apply is OK. <br>
<br>
In particular, you will see their DFT results (that you can
reproduce) and you will also see that BSE is needed to properly
reproduce the L2/L3 ratio. <br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
Le 11/3/2012 11:55 PM, mourad boujnah a écrit :
<blockquote
cite="mid:CAMx4-7P4Sq8dspCQnr_KeVyTLixucMgHUai1q2Uu9co=u4Z-cg@mail.gmail.com"
type="cite">
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<pre style="white-space:pre-wrap;color:rgb(34,34,34);font-size:16px;background-color:rgb(255,255,255)"><font face="comic sans ms, sans-serif">Dear WIEN2k users and developers,</font></pre>
</div>
<font face="comic sans ms, sans-serif"><span
style="color:rgb(34,34,34);font-size:13px;background-color:rgb(255,255,255)">I
followed the procedure to install the version 12.1 of Wien2k
code it works very good . but when</span><span
style="color:rgb(34,34,34);font-size:13px;background-color:rgb(255,255,255)"> i
start to compute the optical properties of ZnTe doped with
transitions element (XMCD) </span><span
style="background-color:rgb(255,255,255)"><font
color="#222222">i just validate some theoretical result, i
find in ZnTe doped with Cr and Ti a value 684 eV
(L23-edges) but in the literature it's 576 eV for Cr,
could you help me to find the error ?</font></span></font>
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<font face="comic sans ms, sans-serif"><br
style="color:rgb(34,34,34);font-size:13px;background-color:rgb(255,255,255)">
<span
style="color:rgb(34,34,34);font-size:13px;background-color:rgb(255,255,255)">With
the best regards</span></font><br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr"><font color="#ff0000" face="georgia, serif">Mourad
BOUJNAH</font>
<div><font face="georgia, serif">PhD Student in </font><span
style="font-family:georgia,serif">laboratory of
magnetism and physics of high energy</span></div>
<div><font face="georgia, serif">Faculty of Sciences in
Rabat - Morocco</font></div>
<div><font face="georgia, serif">Tel:</font> <font
color="#3366ff" face="tahoma, sans-serif"><u>+212 </u></font><font
color="#3366ff" face="tahoma, sans-serif"><u>677316706</u></font></div>
<div><font face="georgia, serif">Email: <u><font
color="#3366ff"><a moz-do-not-send="true"
href="mailto:boujnah.mourad@gmail.com"
target="_blank">boujnah.mourad@gmail.com</a></font></u></font></div>
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