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system=SnO2-Rutile-LDA+U
ISIF=3
NSW=1
ISTART=1
IBRION=2
ISMEAR=0              ! 0 ! for less K-point, set 0. try -5 (tetrahedron method valid for NKPT>=4) with multi-KPOINTS
NFREE =15
NELM   =120
NELMIN=  4
NELMDL = -12
ENCUT=520
NBANDS=160
EDIFF=0.0014
Prec=Normal
ROPT=-5E-4 -5E-4 -5E-4 -5E-4  ! * Making the calculations faster
IALGO = 48    ! RMM-DIIS algorithm for electrons
LREAL =.FALSE.   ! evaluate projection operators in reciprocal space
NSIM = 4      ! blocked algorithm update, four bands at a time
LELF=TURE
ICHARG=11
RWIGS=1.566  0.820
NPAR=1
LDAU      = .TRUE.
LASPH     = .TRUE.
LDAUTYPE  = 2
LDAUL     = 2   -1       £¡ POTCARÖÐSnÔÚǰ£¬OÔÚºó
LDAUU     = 5.00  0.00
LDAUJ     = 0.5   0.00
LDAUPRINT = 2
LMAXMIX   = 4          ! Important: mix paw occupancies up to L=4

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