[CP2K-user] [CP2K:20186] Calculate the reorganization energy and delta_G (electron transfer) of periodic structures

[Zac Smith]

Dear CP2K community，
I have a problem with calculating two values (reorganization energy and 
delta_G (electron transfer)). Assume that *D-A of the attached figure is 
the potential energy surface of the excited state structure, and +D-A- is 
the is potential energy surface of the ground state structure. Lambda is 
the reorganization energy, delta_G (ET) (Gibbs free energy variation 
corresponding to electron transfer). Can we calculate the values of 
reorganization energy and delta_G(ET) for the periodic structure if the 
latest version of CP2K is used?

Best regards，
Zac

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