[Ifeffit] Peak assignment and ionization potential with FEFF
devol at wisc.edu
Fri Sep 13 14:25:50 CDT 2013
Does anyone know whether FEFF can be used to assign peaks? In other words, is there a way to tell which peaks in a calcite O K-edge spectrum are due to CO bonds and which to CaO bonds?
Also, does FEFF calculate the ionization potential and if so, where does it output this?
University of Madison-Wisconsin
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