1
$\begingroup$

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?

$\endgroup$
1
  • 1
    $\begingroup$ 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