[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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