[CP2K-user] [CP2K:18787] Coupling Force Evaluations: Coupled Type
Josh W
jwheels91 at gmail.com
Tue May 9 21:01:46 UTC 2023
I'm looking at this section of the manual where it defines how the coupling
of force enviornments in handled:
https://manual.cp2k.org/cp2k-2022_1-branch/CP2K_INPUT/FORCE_EVAL/MIXED/COUPLING.html
- *Coupling between two force_eval: E=(E1+E2 -
sqrt((E1-E2)**2+4*H12**2))/2*
What exactly is H12? Is this spin orbit coupling, something related, or a
parameter of our choosing?
Any information or sources would be appreciated!
Thank you!
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