atomes go far away from box in NVT simulation

Conrad cjohns... at qub.ac.uk
Sat Jan 30 11:02:00 CET 2016


Dear Tau Liu,

You should always post the information specified at: https://www.cp2k.org/howto:gethelp

Without it, it will be very difficult for users to help you!

Best wishes,
Conrad 

Conrad Johnston 
Queen's University Belfast


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