combine ab initio with implicit solvent
Xiaoliu
loktar.... at gmail.com
Wed Apr 18 23:03:26 UTC 2018
Dear Cp2K users,
I'm working with a system of LiPF6 dissolved in DMC. I was wondering if
there is a way to apply ab initio on the Li ion and the DMC molecules in
the first solvation shell, while treat the rest of the solvent DMC with
polarizable continuum model (PCM). Is there any subsection in cp2k
complying this?
Thanks in advance.
Xiaoliu
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