[CP2K-user] DFT minima hopping calculations with CP2K 7.1

Aditya Goyal goyal.... at gmail.com
Fri Jan 15 13:14:08 UTC 2021

Dear All,
I am new to CP2K simulations, I am trying to use minima hopping algorithm 
for my system to identify the least energetic configuration.
I have tried running  38 water molecule input file provided on the web. Can 
somebody explain how to use DFT with a minima hooping calculation instead 
of leonard jones potential used in the tutorial input file attached below.

Aditya Goyal

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