[Wien] plot surface charge density?

[蔡 孟秋]

Dear wien user: 
 I want to calculate the surface charge-density of BaTiO3 in the 
real-space. It is Ti-O terminated-surface with  the surface state of O 2p 
states in the valence band and Ti 3d states in 
the conduct band. The O 2p states arise from the O atoms in the surface  
layer and the Ti 3d states arise from the Ti atoms in the surface and the 
subsurface layers. In order to analyze the surface states, I want to  plot 
the plot the layer-projected surface charge density states (O 2p and Ti  
3d, respectively) with 2D contour map. I know that we can plot the total  
and valence band charge density in the specified plane with w2web. owever, 
I do not know how to plot the 2D layer-projected surface charge density 
states (O 2p and Ti 3), which is at the surface BZ, with wien2k 

Thank you very much in advance!
Ph. D Cai

_________________________________________________________________
与联机的朋友进行交流，请使用 MSN Messenger:  http://messenger.msn.com/cn