ECONS_START_VAL

Manuel Corral m.corra... at gmail.com
Mon Sep 14 14:00:20 UTC 2015


Dear all,

I noticed that CP2K can start a MD calculation in the NVE ensemble without 
the ECONS_START_VAL 
<http://manual.cp2k.org/cp2k-2_5-branch/CP2K_INPUT/MOTION/MD.html#list_ECONS_START_VAL> 
tag. 

What happens if we omit this tag ? Will the program choose an appropiate 
value ? Will the energy be still conserved ?

Thank you.

Regards,
Manuel
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