[CP2K-user] Questions About EXTERNAL_POTENTIAL

[Ke Zhou]

Dear All, 

Now I am trying to simulate water confined by 2 virtual walls that using 
Morse potential to enforce the interaction from wall to the cores of H2O. 
The extra force from walls is as a function of the *O-wall distance (no 
extra force on H)*.
Here is one of works that implements this method.  
https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.8b02183

Here, I find two sections that can apply external potential. The one is *CP2K_INPUT 
/ FORCE_EVAL / EXTERNAL_POTENTIAL. *The another is * CP2K_INPUT / 
FORCE_EVAL / DFT / EXTERNAL_POTENTIAL*.

Here I have 2 questions:
(1) What is the difference of these two sections? 
(2) The second method can not specify the atoms on which the external 
potential will act (while the first method can by ATOMS_LIST). Can I 
specify the atoms by second method?
(3) If both is OK. Which one is better for this question?

Best,
Justin 

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