Hello everyone, I am working on modeling HfO2 using L3 Hf edge data. Using the default Feff input generated in Artemis, there is some significant mismatch between the data and theory so I augmented the Feff file by adding the POLARIZATION card setting the values of x y z to (0 0 1). Summing the theoretical paths in this calculation looked much closer and fitting the theory gives the results pasted in the text file. Does this POL card setting mean that the electric vector is along the z/c axis of the crystal axis? I did read the Feff manual and the POL card but I am still confused how to relate these to the crystal structure and orientation. Thank you all in advance, -- Chris Patridge PhD. Candidate Dept. of Chemistry SUNY University at Buffalo Buffalo, NY 14260 Contact: 315-529-0501
