[CP2K-user] Geometry Optimization criteria

Julie Borah julie.... at gmail.com
Thu Jan 9 05:48:48 UTC 2020

I have a system of 720 atoms for ab initio simulations. What can be a 
better convergence criteria. I am using 1.0E-04. Can the change use of 
different algorithms to optimize be useful. Any suggestion for making the 
optimization faster?
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