[Wien] About WORK FUNCTION CALCULATION FOR METAL SURFACE

[WangJianGuang]

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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