[CP2K-user] [CP2K:21865] Partial Atomic Charge Calculation

[Maryam Bahrami]

Dear all
I am new to cp2k. I want to compute the partial atomic charges on amino 
acid  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.
please help me how to compute charge on atoms by CP2K.
Thanks

-- 
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 visit https://groups.google.com/d/msgid/cp2k/19387b9e-55fd-47f9-9eb6-87e7ae63eb5cn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250927/c725609e/attachment.htm>