How to Restart Vibrational Calculations?

StKolev sko... at mnet.bg
Fri Apr 8 09:14:46 CEST 2011


Dear CP2K users/developers

I am performing Ab Initio molecular dynamics and vibrational analysis
(after geometry optimization) on a periodic system (organic molecule
in water solution) that contains about 500 atoms.
As the system is large, a lot of time is needed to complete the task.
My question is: how can I restart the vibrational analysis?

Best Regards
Stefan Kolev


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