[CP2K-user] [CP2K:15664] Charge distribution. Help wanted.

Dawid das add... at googlemail.com
Wed Jun 30 07:39:38 UTC 2021


Can you be more specific, please? Do you want to get a cube file with
electron density or population analysis?
Do you mean QM or QM/MM calculations? Tell  us more about your molecular

Best wishes,

śr., 30 cze 2021 o 04:12 Jone_J <shinnosuk... at gmail.com> napisał(a):

> Dear CP2K community,
> I'm a new user of cp2k.
> How can I get the charge distribution using cp2k?
> I hope you can teach me the basics.
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