[Pw_forum] Electron affinity calculation

Davide Ceresoli ceresoli at sissa.it
Wed Jan 31 17:37:15 CET 2007


Alexander Shaposhnikov wrote:
> Why the average hartree potential? 
> Shouldn't it be the total potential averaged in  the median plane 
> in-between the slabs?
> 
All right. It's the electrostatic potential.
I generally use plot_num = 11 (11=the V_bare + V_H potential)
in postprocessing.



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