dipole moment calculation in CP2K

[kris Gu]

Dear all,

I was calculating dielectric constant of water these days using the TIP3P water model, but the dipole moment calculated directly by CP2K under

 CP2K_INPUT / FORCE_EVAL / MM / PRINT / DIPOLE

can not give me the same number when I use the sum(point charge*coordination), and unluckily neither of the dipole moments can give me a reasonable  dielectric constant, which I am still debugging ...

Thus I was wondering what kind of method is used in CP2K to calculate the dipole, after knowing that maybe I can have a better view of my debugging peogress.

Thanks in advance!

Chris