[CP2K-user] How to apply homogeneous finite electric field via the modern theory of polarizability

Ke Zhou zhouk... at gmail.com
Thu Oct 31 16:21:12 UTC 2019


Dear all,

I want to simulate bulk water under electric filed. 
I know we can use &EXTERNAL_POTENTIAL to add electric filed. But I think it 
can only be used for slab system.
In the literature, I found macroscopic polarization and finite electric 
fields are treated with the modern theory of polarization.

So, how to apply homogeneous finite electric field via the modern theory of 
polarizability like in PWscf?

Best,
Justin 

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