结构优化完成后，静态自洽运算总是不执行，请大家帮忙分析下是什么原因


k文件:
Automatic generation
0
Monhkorst-Pack
15  15   13
0.0 0.0 0.0


INCAR文件：
PREC = Accurate      ! medium precision
ENCUT = 380         ! Energy cutoff

ISTART = 0
ICHARG = 2         ! superposition of atomic charge densities as initial density
ISYM = 2           ! memory conserving symmetry calculation
NSW = 0          ! maximum ion relaxation steps
ISMEAR = -5       ! Gaussian smearing
SIGMA = 0.1       ! width of smearing in eV

ALGO = Normal        ! mixed algorism with Davidson and RMM-DIIS

LWAVE = F          ! Save wave function
LCHARG = T
LREAL = F    ! Real space projection

NEDOS=2000

LDAU = .True.
LDAUTYPE = 2
LDAUL= -1 -1 3
LDAUU= 0.0 0.0 6.0
LDAUJ = 0.0 0.0 0.0
LMAXMIN = 6.0
LDAUPRINT = 0


也已经尝试过 ISYM=0
以及 降低 SYMPREC = 10-4 返回小木虫查看更多