[CP2K-user] [CP2K:18678] A question about the form of the analytical force of the Hartree energy in CP2K

[chaizi...@gmail.com]

Dear all,

I would like to ask a question about the form of the analytical force of 
the Hartree energy (Eq. 30 in Ref: J. VandeVondele et al. / Computer 
Physics Communications 167 (2005) 103–128) in CP2K. Since VH(r) is a 
functional of the electron density rho(r'), and rho(r') depends on the 
atomic positions, then why there is no terms concerning nabla_I vtot(r) in 
Eq. 30? Please find attached the screenshot of these formulas. 

Thanks a lot in advance.

Kind regards,
Z

[image: f.jpg]

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