partial charge after DFTB calculation

Hanning Chen chenh... at
Mon Jun 1 07:03:28 UTC 2009

Dear CP2k users,
  Does anyone know how to obtain the atomic partial charges after a DFTB
calculation? As far as I understand, the DFTB Hamiltonian depends on the
atomic partial charges. So, additional post-SCF orbital analysis is not
necessary as in the regular DFT calculations. However, I could not find any
information about the charges in the cp2k output files.

  Thank you in advance for your help.

  Have a good day.

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