[Pw_forum] hi, I wonder is the choice of pesudopotential cause the DOS(density of state) of 3d state region disappear?

[Paolo Giannozzi]

r95222066 at ntu.edu.tw wrote:

> I have calculate the density of state on material which has V 3d  
> states.But when I draw out to compare with  the paper.I find the 
> DOS of V 3d region disappear. Here is my pesudopotential below.
> ----------------------------------------------------------
>       V:Perdew-Burke-Ernzerhof (PBE) exch-corr
> 	 nonlinear core-correction
> 	 Vanderbilt ultrasoft
>       O:Perdew-Burke-Ernzerhof (PBE) exch-corr
> 	 Rabe Rappe Kaxiras Joannopoulos (ultrasoft)
> -----------------------------------------------------------
> Or there may be another wrong place I misunderstood?
> 
> PS:I had calculated nonmagnetic state and ferromagnetic state ,the DOS  
> below Fermi level is well fittd. But the V 3d region up from the fermi  
> level is disappeared.

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P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy