How to specify deformation on simulation box

Yiyang yiyan... at asu.edu
Fri Nov 18 17:40:17 UTC 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161118/03074556/attachment.htm>


More information about the CP2K-user mailing list