[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
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