[Pw_forum] hartree potential

willy kohn willykohn at gmail.com
Mon Mar 31 19:57:27 CEST 2008

Hi, every one:

I'm new to the field of DFT self-consistent calculation and now reading the
pwscf code. I have been very puzzled for awhile on the calculation of the
hartree potential which is in the subroutine 'v_h' of file 'v_of_rho.f90'.
In the literature, v_hartree(G) = rho(G)/G^2, but in the subroutine, it
seems v_hartree(G) = |rho(G)|^2/G^2.

Anyone can tell me what is going on here? Did I understand the formula


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