[CP2K-user] [CP2K:21863] How to calculate Atomic Partial Charge of a molecule using CP2k?
Maryam Bahrami
maribahrami1986 at gmail.com
Sat Sep 27 11:17:30 UTC 2025
Dear all
I want to know how to calculate partial atomic charges of a molecule using
CP2k.
Can anybody help me?
Thanks
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