[CP2K-user] Initial guess from previous SCF - Best method?

MD Simulation mdsimula... at gmail.com
Thu Aug 22 22:12:57 UTC 2019


Hello,

I'm making a script to run steered molecular dynamics and using CP2K to 
calculate DFT energy and forces.  I'd like to utilize the previous time 
step's converged SCF information to decrease the convergence timing of the 
next energy/force calculation.  What is the best methods to read in the old 
data?

Thanks,
Stacey
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