Charge density in geometry optimization
Posted: Sun Feb 28, 2016 8:05 am
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
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