Sn原子嵌入的石墨碳层结构优化无法收敛

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求助大家，我在对含有一个Sn原子嵌入的石墨碳层进行优化时，但是电子步走完150步还是无法收敛
ENCUT = 520
ISTART=0
ICHARG=2
ISPIN=2

LORBIT = 11
LPLANE = .TRUE.
NPAR   = 4
LSCALU = .FALSE.
NSIM   = 4

IBRION=2  ! conjugate-gradient algorithm
ISIF=2  !3 relaxes cell shape and volume, 2 fixes cell shape and volume
NSW=501  !ionic steps
NELM=150

PREC=Normal
EDIFF=1.0E-6
EDIFFG=-0.03
ISMEAR=0
SIGMA=0.1
LWAVE=.FALSE.
LCHARG=.FALSE
LVTOT = .FALSE. !write LOCPOT
INIWAV=1
ALGO=Fast
POTIM=0.1
LREAL=Auto
AMIX = 0.05
BMIX = 0.0001
AMIX_MAG = 0.2
BMIX_MAG = 0.0001