[QE-users] PP.x plot screening and xc

[Antoine Jay]

Dear all,

While reading pp.x description:
the plot num= 1 plots   'V_bare+V_H+V_xc'
the plot num=11 plots  'V_bare+V_H'
the plot num=2   plots  'V_bare'
Then, it seems then that:
to obtain V_H,   a substraction of plot 11-plot 2 is enough.
to obtain V_xc, a  substraction of plot 1-plot 11 is enough.

However,  while V_bare is well described by a ~1/r, its screening with Hartree potential sould be ~1/r*exp(-r/lengh).
Then the exponential V_H sould be the division plot11/plot2?
Or is it an exact value ADDED to V_bare and calculated with the Poisson equation?

Antoine Jay
LAAS-CNRS, Toulouse France


 
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