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Charge density in geometry optimization

Posted: Sun Feb 28, 2016 8:05 am
by zzhlax
Hi vasp users,

I have a question about the charge density derived in the geometry optimization. Is the charge density averaged over the ionic steps or of the last ionic step? I know the density of states is averaged over the ionic steps in the geometry optimization. Thank you.

Best,

Zhaohui

Re: Charge density in geometry optimization

Posted: Tue Mar 01, 2016 11:47 am
by admin
Calculated quantities are evaluated for the last ionic step.

Re: Charge density in geometry optimization

Posted: Thu Mar 03, 2016 10:22 pm
by zzhlax
thank you.