Modeling electrostatic response in classical MD for metal-liquid interface

Prasenjit Ghosh prasen... at gmail.com
Wed Jun 21 16:00:46 UTC 2017


Dear all,

I was wondering whether Siepmann and Sprik's method of modeling 
electrostatic induction has been implemented in cp2K (J. Chem Phys, 102, 
511 (1995)). I saw the flags related to Siepmann-Sprik's potential in the 
manual and the tests. However, I did not find any input parameters related 
to modeling the excess charge density related to metal ions. May be I am 
missing something.

Can someone please direct me towards the right direction?

With regards,

Prasenjit
IISER Pune, India
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