[CP2K-user] [CP2K:18729] How to calculate strain-stress curves in AIMD?

wenxue ma yiqingyangk at gmail.com
Thu Apr 27 02:53:24 UTC 2023


Dear all, 

I have learned CP2K for few months.I want to calculate strain-stress curves 
for a system. How could I apply a constant  strain to system.  A tensile 
simulation is to get strain-stress curves.
Thank you for your reply.

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