How to specify deformation on simulation box

Yiyang yiyan... at asu.edu
Fri Nov 18 18:40:17 CET 2016


Hello,

I wonder if there is a command to deform the simulation box with constant
strain rate, so we can simulate the box under tension, compression or shear?

I have searched the CP2K manual website for this but without any luck.

Thank you.

Regard,
Yiyang
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