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 correctly? Best, Wei -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080331/b6772940/attachment.htm
