[CP2K-user] Mixed Hamiltonian Simulation

farzaneh sarrami sarrami... at gmail.com
Thu Oct 31 13:47:15 UTC 2019

Hi Cp2k professionals,

I want to do Mixed Hamiltonian Simulation for reduced and oxidised state 
(Ab initio-MD) I know it can be done in Cp2k but I don't know how?
I am using this equation with coupling parameter (which can change from 0 
to 1) 

I really appreciate if you can give me practical advices to do this.


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