[Wien] About WORK FUNCTION CALCULATION FOR METAL SURFACE

[Laurence Marks]

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
>
>
>
>
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-- 
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.