[CP2K-user] [CP2K:19705] How to use cp2k to calculate elastic modulus parameters

xiao peng itimeless2018 at 163.com
Fri Jan 5 02:07:12 UTC 2024


Hi, everyone

I recently calculated some materials that require computing mechanical 
properties, such as bulk modulus,  Young's modulus, and shear modulus. 
But I checked the official website tutorial of cp2k and found that there 
seem to be no relevant examples.
I would appreciate if you could give me some examples.

Thank you for your time and consideration.
Regards, Peng

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