Dear all pwscf user,
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.
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V:Perdew-Burke-Ernzerhof (PBE) exch-corr
nonlinear core-correction
Vanderbilt ultrasoft
O:Perdew-Burke-Ernzerhof (PBE) exch-corr
Rabe Rappe Kaxiras Joannopoulos (ultrasoft)
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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.
Thanks a lot
Bong-Hong Chen,National Taiwan University,Taiwan
