[CP2K-user] how long does the water system get equilibrium?

egbertchang egbertc... at gmail.com
Wed Jun 23 13:30:12 UTC 2021


recently I RUN the H2O-256.inp in QS benchmark from cp2k8.1.

but after 10ps , i calculate the average density , but it's very unstable [image: 
QQ截图20210623212442.png]
so why the profile is so unstable ?
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