antiferromagnetic static calculation get mag=-13.3597

[huan0001]

Hi everyone,
I'm trying to run static calculations of AFM-UO2. But I got this :

DAV: 114 -0.985348411373E+03 -0.29575E-04 -0.66971E-05 15928 0.197E-02 0.336E-01
DAV: 115 -0.985348430713E+03 -0.19340E-04 -0.22206E-05 11692 0.138E-02 0.333E-01
DAV: 116 -0.985348443510E+03 -0.12796E-04 -0.40440E-05 12716 0.167E-02 0.328E-01
DAV: 117 -0.985348436380E+03 0.71293E-05 -0.25275E-05 11096 0.137E-02
1 F= -.98534844E+03 E0= -.98522582E+03 d E =-.367849E+00 mag= -13.3597
INCAR:
System = UO2
ENCUT=600
ISTART = 0
ICHARG = 2
ISMEAR = -5
IBRION=-1
ISIF=2
NSW=0
EDIFF=1E-5
EDIFFG=1E-4
NGX=86
NGY=86
NGZ=86
ISYM=0
AMIX=0.2
BMIX=0.0001
AMIX_MAG=0.8
BMIX_MAG=0.0001
NELM=200

NPAR=4
KPAR=4
NSIM=2
LREAL=Auto
LWAVE=.T.
LCHARG=.T.
LORBIT=11

ISPIN=2
MAGMOM=8*1.5 8*-1.5 8*1.5 8*-1.5 64*0

LDAU = .TRUE.
LDAUTYPE = 3
LDAUL =3 -1 -1
LDAUU =0.0 0.0 0.0
LDAUJ =0.0 0.0 0.0
LDAUPRINT = 2
LMAXMIX = 6
LASPH = .TRUE.

Does anybody know how to solve this?

[support_vasp]

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