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Posted: **Fri Sep 28, 2007 2:59 pm**

more often then not, while running vasp, what i have seen, once achiving SCF, i.e. running for NELMIN only for some geometric step, it again starts running for electronic step>NELMIN.
why it happnes?

Posted: **Mon Oct 01, 2007 10:10 am**

soory, I do not understand your question. by scf, do you mean electronic or ionic convergence?