large variation in the pressure

marc marcvanh... at
Sat May 31 09:44:05 UTC 2008


I've done a NPT-force field simulation on acetonitrile using CP2K.
I've noticed that the variation in the pressure is very large.  Does
anybody knows where this large variation comes from?  How I can avoid
it in the future?  I've uploaded my input files.

Thanks in advance,

cheers & beers,


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