[CP2K-user] 3 box simulation possible?

pavan kumar behara pavan... at gmail.com
Wed Feb 5 21:06:44 UTC 2020


Hi,

I don't have any experience with this but found a paper that mentions GEMC 
with CP2K (https://doi.org/10.1080/00268970601014781). There are a few 
inputs in tests/MC/regtest which might help jump start your runs.

Best,
Pavan.

On Monday, February 3, 2020 at 11:21:06 PM UTC-5, Ramanish Singh wrote:
>
> Hi,
>
> Is it possible to do 3 box GEMC simulation in CP2K?
>
>
> Thanks,
> Ramanish 
>
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