I wonder if anyone has a good suggestion for calculating the surface dipole of a metal (e.g. Al). The DIPOLE option in aim might do it, although I have no idea if that works. If anyone has tested it please let me know; alternatively, if you have an inspiration on how to test it against a calibrant that would be informative.
I am always hopeful... -- Professor Laurence Marks (Laurie) Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi
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