VASP Forum

I am experiencing a large force drift independent of ENCUT (500 eV to 700 eV) even though the force is optimized to 0.025 eV/A. This occurs for several systems (both adsorbate and free molecule) and does not appear to depend on my fixing some of the substrate coordinates. In the example files I have attached, these are molecule calculations with no fixed coordinates and ENCUT = 500, 550, and 700 eV.

Any advice that will allow me to eliminate the drift (or that indicates it is not a problem) will be appreciated.

Sorry for the late answer. It is not always easy to determinate the origin of a drift in the forces. We will try to figure out if there is an obvious reason in your particular case.

Hello Fabien. Any luck with figuring out the origin of my drift?

Hi, unfortunately not yet. I will try to go back to this problem as soon as possible.