[CP2K-user] NVT simlution of confined water and graphene

[egbertchang]

Dear All

I am trying to Run the simultion of graphene and confined water with 
CP2K7.1,  however I found the bulk water density is very unstable?  Can 
anyone look at this input file and tell me where am I going wrong? [image: 
Graph2.jpg]
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