求助：GGAU计算能带结构求助

KIFOOY

使用GGAU计算能带结构时，更改U值带隙没有发生变化，加U后与GGA结果相差不大，计算方法试过GGA结构优化，GGAU单点计算，能带计算，还有GGAU结构优化单点及能带计算，两种都用了，与文献值的加U值还是相差很大，与不加U的没有多少区别。。。。求助各位大佬，下图是单点计算的INCAR 文件
PREC = Normal
   ISTART = 1
  ICHARG = 1
  LREAL = Auto
   NWRITE = 2
   NBLOCK = 1
   NPAR = 2
   NCORE = 12


# Electronic self-consistent
   ENCUT = 500
   ALGO = Fast
   ISPIN = 2
   NELMIN = 2
   NELM = 300
   EDIFF = 1.0e-04
   LWAVE = .T.
  LCHARG = .T.
  ISMEAR = 0
   SIGMA = 0.2

# Ionic relaxation
  IBRION = 2
  ISIF = 2
  NSW = 0
  POTIM = 0.2
EDIFFG = -0.02

# GGA+U
LDAU = .TRUE.
LDAUTYPE = 2
LDAUL =  1 2 2
LDAUU = 4.4 17.3 12.6
LDAUJ = 0.0 0.0 0.0
LMAXMIX = 4
LDAUPRINT = 2