[CP2K-user] [CP2K:16868] charge calculation on atom using cp2k

shamimul Ahsan shamimul1234 at gmail.com
Wed Apr 20 10:36:06 UTC 2022

Hi cp2k user
I am new to cp2k. I want to compute the charges on atom of water molecule 
using cp2k. Is the charge computed from cp2k accurate like computed from 
Gaussian software? Is it possible to compute accurate charge using cp2k? 
Please let me know.

With regards
Shamimul Ahsan

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