Hi, As the subject title says, I am intereted in calculations of workfunction for a given slab (surface). (I'm afraid that this topic may have been covered, but as I did some search on the pw_forum archive, I couldn't find a result though.) How can workfunction be calculated in the code? As the total potential can be calculated using pp.x (plot_num=1), can work-function be the difference between the potential energy at the vacuum (in a supercell) and the Fermi energy which is given by the code? Thanks. Sampyo Hong ______________________________ Research Associate Department of Physics, Kansas State University, Manhattan, KS 66506, USA. E-Mail: likedew at phys.ksu.edu WEB: http://www.phys.ksu.edu/personal/likedew Phone: +1-785-532-1642 FAX: +1-785-532-6806 Favorite quotation: "God demonstrates his own love for us in this: While we were still sinners, Christ died for us." _______________________________
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