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Configuration averaging over absorbers


 

In amorphous materials or materials with distortions from regular crystals the absorbing atoms (with the same number in periodic table) may have different surroundings. Thus one may want to average the calculation over different types of sites for the same atom or even over all atoms in the 'feff.inp' file. This can be accomplished using CFAVERAGE card of Section 2.2.




John J. Rehr
Thu Jul 1 14:31:17 PDT 1999