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

[shamimul Ahsan]

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

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/5769832e-76cd-4987-9920-1e1a3a85dda1n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220420/60a62606/attachment-0001.htm>