[Wien] Slab Calculation

[alonofrio at comcast.net]

Dear Wien2K Users, 


I am new to Wien2k and I need help with the following. 
I am trying to get the band alignment of two semiconductor materials. These are 2D slabs for which I performed separate calculations and now I would like to compare the band edges. 
I understand that the bands and Fermi energy are calculated with respect to the average electrostatic potential calculated in the interstitial region. For these slab systems the electrostatic potential is calculated at Z=0 and Z=0.5 (:VZERO) from this I should be able to get the work function as WF=VZERO-FER. 


Now my question, Is it possible to compare these two separate calculations by means of knowing the work funtion of both slabs? If so what would be the procedure to compare the band edges (VBM and CBM) for both materials making sure they are measured from the same reference? 


Thanks so much, any input or opinion is greatly appreciated. 
Alex Onofrio, 
Department of Physics 
Universidad de Los Andes 
Bogota, Colombia. 
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