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Posted: **Tue Apr 29, 2014 6:08 pm**

How might you go about creating a .traj file from the geometries after each optimization step (or say every 20th optimization step)?

Posted: **Wed Apr 30, 2014 6:57 am**

XDATCAR file contains atoms positions after each step. If I need movie I just operate on this file.

Create trajectory from Optimization steps