UT theoretical chemistry code forum

Hi,
I have looked through the questions posted on this forum.it seems that a lot of problems were caused by improperly setting of POTIM,though there are some explanations in the guide of VASP,it seems not vary clear. I shall appreciate you heartily if you can interprete the tag and the relationship with force or its convergence further.
Thank you very much



lusommmg

POTIM is a time step variable, but it is used in different ways for the different optimizers and for molecular dynamics. Basically, in all cases, POTIM should be small enough to ensure stability, yet large enough for the methods to be efficient.