The number of ionic relaxation steps is one of the adjustable parameters while setting up a DFT calculation using a commercial code such as VASP. I was wondering what's the significance of this value?


closed as unclear what you're asking by Jan, Todd Minehardt, airhuff, M.A.R., Zhe Feb 14 '17 at 1:37

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    $\begingroup$ Hello and welcome to Chemistry.SE! Regarding your question, it could be greatly improved by giving a more detailed description of your specific problem. Giving an example would go a long way toward this end. It also reads like a homework-type question, and I suggest reading this discussion regarding homework-type questions. Good luck! $\endgroup$ – airhuff Feb 13 '17 at 22:29