Thanks a lot Prof. Peter, this was our problem also.<div>R.K.Thapa</div><div>India</div><div>============<br><br><div class="gmail_quote">On Thu, Jun 30, 2011 at 5:54 AM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Whithin the core-valence spectroscopies and the XSPEC package, the energy<br>
dependent radial transition matrix elements are given in case.m1 and<br>
case.m2. They can even be plotted by the plotting interface in w2web.<br>
(In addition the trnasition probability depends on the local partial-DOS<br>
and some angular factors (constants for certain l,l' character), which you<br>
can find in the code or in some of the early papers on XES quoted in the<br>
UG.<br>
<br>
Am 27.06.2011 20:53, schrieb <a href="mailto:grad@famaf.unc.edu.ar">grad@famaf.unc.edu.ar</a>:<br>
<div class="im">><br>
> Dear Wien users,<br>
><br>
> We have the possibilities to measure different kind of atomic parameter<br>
> using Synchrotron Radiation, then we are interested to compare these<br>
data<br>
> with WIEN2k calculations. This atomic parameters would be atom<br>
</div><div class="im">> fluorescence cross sections, fluorescence yield production, radiative<br>
> vacancy transfer probabilities.<br>
><br>
> I have been using XSPEC and TELNES.2 to calculate spectra with and<br>
without<br>
> core hole, but I can't extract the transition probability to the<br>
different<br>
> states for instance in the case of XES, where we need the probabilities<br>
of<br>
> transtition from an l-like valence state to a core hole state. I would<br>
> like to know how I can find that information in the outputs or if I<br>
should<br>
> run and other program.<br>
> We will very grateful if we can get this information.<br>
<br>
<br>
<br>
</div> P.Blaha<br>
--------------------------------------------------------------------------<br>
<font color="#888888">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698<br>
Email: <a href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</a><br>
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