Ce_3 Potential doesn't have the f-orbital charge
Posted: Mon Nov 20, 2017 3:37 pm
Hey everyone,
I did some tests by VASP5.3. And I found that the total charge part in OUTCAR does not show the f-orbital charge when using the Ce_3 potential. But using the Ce potential it shows the correct orbital deposition. Dy/Dy_3 and Eu/Eu_3 show the same results.
So, could you please tell me what's the reason for the different results between using the ordinary potential and _3potential?
I did some tests by VASP5.3. And I found that the total charge part in OUTCAR does not show the f-orbital charge when using the Ce_3 potential. But using the Ce potential it shows the correct orbital deposition. Dy/Dy_3 and Eu/Eu_3 show the same results.
So, could you please tell me what's the reason for the different results between using the ordinary potential and _3potential?