Charge calculation -- Charged system

[Sandeep Kumar Reddy]

Dear All,
                 I am trying to calculate atomic charges of a system whose
total charge is +1. I am not able to get charges correctly as expected.

For the sake of better understanding, i have taken an easy system which
consists of 1 water molecule and 1 H atom (Total 4 atoms).

*First, I used Gaussian software to calculate the atomic charges on this
system. *

 Mulliken atomic charges: (Method:  hf 6-31g(d))
              1
     1  O   -0.857873
     2  H    0.424054
     3  H    0.433819
     4  H    1.000000

 Sum of Mulliken atomic charges =   1.00000


*Using CP2K, i have got the following charges. *

MULLIKEN POPULATION ANALYSIS

 #  Atom  Element  Kind  Atomic population                Net charge
       1     O        1          5.956324                  0.043676
       2     H        2          0.814162                  0.185838
       3     H        2          0.809985                  0.190015
       4     H        2          0.419529                  0.580471
 # Total charge                  8.000000                  1.000000


In case of atom centered basis set, i can clearly see +1 charge is
localized on 1 H atom where as it is not the case using mixed basis set.
Could anybody help me in this regard? The cp2k input file is enclosed.

Thanks.

Regards,
Sandeep
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