[Wien] thin film initialization

emami seyyed amir abbas a.a.emami at birjand.ac.ir
Mon Sep 5 11:17:47 CEST 2016


Dear users 

I am trying to calculate the electronic and magnetic properties of a cubic Heusler alloy thin film. I use a k-mesh of 20*20*20 for bulk state calculation. For constructing of its thin film the "number of cells in x,y and z direction" were selected as 1*1*2 respectively and 20 bohr for vacuum in z direction. Now for thin film a mesh of 20*20*1 for k-point is ok? Also can i use cut-off energy and RKmax of bulk state for thin film one?  

thanks in advance
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