Look at VZER* at the bottom of case.scf0, which prints it for you. Pick * to be the relevant one for your surface.
2010/7/28 WangJianGuang <jgwang116 at hotmail.com>: > Dear Wien2k users, > > > > I am calculating the adsorption properties of O2 on Pu surface using > WIEN2K_08. I want to calculate work function for the O2/Pu and pure Pu > surfaces. The formula of work function is WF=VZERO-FER from the user?s guide > of WIEN2K. But I am not clear how to get the values of VZERO and FER in the > real calculations, especially the value of VZERO. Could anybody give me a > more detailed explanation. > > Thanks a lot! > > Jianguang Wang > > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Electron crystallography is the branch of science that uses electron scattering and imaging to study the structure of matter.
