[Q-e-developers] Integral of total potentail and charge density

[Jiqiang Li]

Dear developers,
       I want to evaluate the definite integral  \int {V(r) * rho(r) dr}, now I have output the total potential V  and charge density rho by the post process tool pp.x of Quantum Espresso. 
a) I am wondering whether the integral can be simply handled as \sum_i {V(i) * rho(i)} * volume / N, where volume of unit cell and N the size of array for V and rho. If no, any other formula?
b) Is the integral above equal to the sum of 'hartree contribution" and "xc contribution"  in the stdout file? Or where can I find some information in the stdout file as benchmark data?
  
     Any consideration will be gratefully appreciated.


Best regards!

Jiqiang Li
Fudan University, China


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