[CP2K-user] [CP2K:16617] Point charges to simulate an electric field?

Бранислав Миловановић dr.branislavm at gmail.com
Mon Feb 21 15:24:34 UTC 2022


Dear cp2k users,

Is it possible to introduce ghost atoms with no basis set and with finite 
non-integer point charge in AIMD calculations? Something like MM point 
charges.

I want to try to simulate behaviour of some small molecules in the electric 
field which originates from a particular sequence of the point charges.

Thanks
Branislav

-- 
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/fcd4a450-71b5-4651-8a7b-5d8778e8a7a4n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220221/9835b6bb/attachment.htm>


More information about the CP2K-user mailing list