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: salman.zarr...@tu-darmstadt.de _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
