How to Restart Vibrational Calculations?
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?
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