[CP2K-user] Geometry Optimization criteria

[Julie Borah]

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?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200108/67bc8b4c/attachment.htm>