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