[CP2K-user] Restart NEB calculation

Lucas Wu longin... at gmail.com
Wed Sep 23 17:28:09 UTC 2020


Hi all,

I'm new to cp2k. Due to cluster limitations, I have to restart my NEB 
calculation. How do I do that? Do I just run the .restart file as an input? 
Or should I create a new .inp file and use the EXT_RESTART command?
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