[CP2K-user] cp2k Mulliken charges

Raghav raghavs... at gmail.com
Wed Feb 27 05:53:12 UTC 2019

Dear all,

Is it possible to print *Mulliken* charges for only *selected* atoms in a 
system using cp2k. For eg. charges for atom *index 42 43 44* are of my 
interest and I would like to print charges for only these atoms rather than 
printing them for all the atoms in the system which is time taking for very 
large systems. 

Thanks in advance.

Best Regards,
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