Look in the user guide for the option to calculate this using lapw0, & you then can use lapw5 although I dont think it is automated.
Note, by definition the vacuum potential is zero, which gives you the absolute value. --------------------------- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu 1-847-491-3996 "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Gyorgi On Oct 5, 2013 1:04 PM, "Salman Zarrini" <[email protected]> wrote: > > Dear Wien2k User, > > The work function could be clearly calculated via (E(vac)-E(F)) where > E(vac) is the coulomb potential either at Z=0 or Z=0.5 of a > slab-vacuum unit cell, however, I was wondering if it is possible to > have coulomb potential in the different Z of the unitcell aslo? > Actually, I would like to plot "Plane average potential" respect to Z > for a slab-vacuum model. So, any suggestions would be appreciated in > advance. > > Cheers, > > Salman Zarrini > E-mail: [email protected] > > > _______________________________________________ > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html >
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