[CP2K-user] [CP2K:18144] box become larger when doing MD simulation in NVT ensemble

Moon Moon yuegrit at gmail.com
Mon Dec 5 04:14:36 UTC 2022


hi,  could you please help me ?
When doing MD simulation in NVT ensemble, my simulation box was found 
become larger and larger. I can't solve this problem.
Attachment are my files. 
Any suggestions will be welcomed.

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