<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear all,<br><br>I am wondering about how to get the absolute excitation energy in the x-ray absorption calculation with Wien2K.<br><br>Take the oxygen K edge XAS for example. <br>1) I get the 1s electron orbital energy from case.outputst, say 515 eV<br>2)add the energy value above Fermi level, say 5 eV<br>3) add they two together, then get 520 eV<br><br>However, the experimental excitation energy is 535 eV. Is my calculation wrong?<br><br>Any reply will be greatly appreciated!<br><br>Best regards & Thanks<br><br>Lily<br><br>Ph D candidate<br><br>Division of Physics and Applied Physics<br>Nanyang Technological University<br>Singapore<br><br><br></td></tr></table><br>
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