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<div style="margin-bottom:0cm;"> <span lang="en-US">Dear all</span></div>
<div style="margin-bottom:0cm;" lang="en-US"><br>
</div>I am a new user of Quantum Espresso, and I am glad to realize that it is also provided a package performing atomic all electron calculations. I'm interested on determining the properties and optical responses of atoms. Actually I try to describe the photoionization spectrum of atoms. <br><br>I would to know,<br><br>1.<span class="tab"> </span> After running the XSpectra example, in the result directory, and in the files "*.dat", is sigma standing for the cross section of photo absorption of the molecule we are dealing with?<br><br>2.<span class="tab"> </span>Is it possible to determine the k-edge x-ray absorption spectrum of free atom (not only molecules) using XSPECTRA. If so, how would I proceed ?<br><span class="tab"></span><br><div style="margin-bottom:0cm;" lang="en-US">I look forward to hearing
from you.</div><div style="margin-bottom:0cm;" lang="en-US"><br> With kindest regards.</div><div style="margin-bottom:0cm;" lang="en-US"><br></div>
<div style="margin-bottom:0cm;" lang="en-US">----------------------------------------------------</div>
<div style="margin-bottom:0cm;">Anne Justine ETINDELE<br>PhD student in
Atomic Physics<br> Faculty of Science, University of Douala<br> B.P.
24157 Douala<br>Cameroon<br>Phone : (+237) 95 16 27 01 (Cel.)<br>E-mail
: <font color="#000080"><span lang="zxx"><u><a rel="nofollow" ymailto="mailto:annetindele@yahoo.fr" target="_blank" href="mailto:annetindele@yahoo.fr">annetindele@yahoo.fr</a></u></span></font>
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