Dear colleagues,<div><br></div><div>If I have a structural model with geometry optimised by DFT, how do I obtain a theoretical XANES spectrum based on that model?</div><div>Second questions is how to calculation the projected density of states (PDOS). Thanks!</div>
<div><br></div><div>best regards</div><div>Wei<br clear="all"><div><br></div>-- <br>Wei Li<br><br><font color="#888888">Postdoc researcher<br>Environmental Soil Chemistry Group<br>Delaware Environmental Institute<br>University of Delaware, Newark,19713<br>
Tel:<a>631-949-0663</a><br><a href="http://ag.udel.edu/soilchem/" target="_blank">http://ag.udel.edu/soilchem/li.html</a></font><br><br>
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