[Pw_forum] How to get the electrical potential of each atom

[wujianchun]

Dear sir,

 

How to get the electrical potential of each atom for the VBM correction of defect study?

Using the postprocess PP, we can only get the total potential 1D 2D or 3D by setting the "iflag". 

 

But I want the get the electrical potential of each atom after relaxing the supercell.  Any advice will be appreciated. 

 

 

Thanks a lot.

 

regards

 

Jianchun wu

Department of physics

Soochow university,China

215006
 		 	   		  
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