INCAR for spin orbit coupling calculation with hubbard U correction.

INCAR.SOC_U

   SYSTEM = xxxxx
Startparameter for this Run:
   NWRITE =    2        default is 2
   ISTART =    0        0-new  1-cont  2-same basic set
   ICHARG =    1        charge: 1-file 2-atom 10-const
   LCHARG =    .TRUE.  Write down charge densities or not
   LWAVE  =    .TRUE.  Write down wavefunctions or not
#  LVTOT  =    .TRUE.   Write LOCPOT, total local potential
#  LVHAR  =    .TRUE.   Write LOCPOT, Hartree potential only
#  LELF   =    .TRUE.   Write electronic localiz. function (ELF)
   ISYM   =    0        default is 1
   NPAR   =    4
   AMIX   =   0.4       default 0.4 not converge first try Amix=0.1 Bmix=0.01
   AMIN   =   0.1       default 0.1 if still not converge try Bmix=3.0 Amin=0.01
   BMIX   =   1.0       default 1.0

Electronic Relaxation
   PREC   =    NORMAL
   ENCUT  =    400      kinetic energy cutoff, default is taken from POTCAR file
ISPIN  =    2        (1 = off, 2 =on spin polarization)
#  NBANDS =    200
#  MAGMOM =    12*4
#  NELMDL =    -5       negtive only start-configuration;positive for every step
   NELMIN =    4
   NELM   =    300      maxmum step number of SCF, default 60
   EDIFF  =    1E-05    stopping-criterion for ELM, default is 1E-04
   LREAL  =    Auto
   ALGO   =    Normal   #IALGO = 38  if meet trouble decrease NSIM
   NSIM   =    1        #improve preformance
Ionic Relaxation
   EDIFFG =   -1E-02    stopping-criterion for ELM, default is 1E-04
   IBRION =    -1        ionic relax: 0=MD, 1=quasi-Newton, 2=CG,5=phonon
#  ISIF   =    2        (2:force=y stress=y ions=y shape=n volume=n), default is 2
#  NSW    =    1800      max number of geometry steps, default 0
   POTIM  =    0.5
#  NBLOCK =      1      inner block; Default: 1
#  KBLOCK =      1      outer block; Default: NSW
DOS Related values
   ISMEAR =   0         -1: Fermi smearing, 0: Gaussian smearing, 1..N: Methfessel-Paxton order N ...
   SIGMA  =   0.05      broadening in eV
   LORBIT =   11        writting our magnetization
   NEDOS  =   10000
   EMIN   =   -30.0     Performing RELAX_STATIC (aleksey) force search for EMIN
   EMAX   =   45.0      Performing RELAX_STATIC (aleksey)

VDW Related option
   IVDW   =   12        DFT-D3 with damped

LSORBIT = .TRUE.

MAGMOM = 6*0 0 0 1 0 0 1

# GGA+U
LMAXMIX = 6
LDAU = .TRUE. # AFLOW LSDA+U
LDAUTYPE= 2
LDAUPRINT= 2
#LDAU_SPECIES=   Se   V
LDAUL =  -1   2 # l-quantum number Default 2 1:p 2:d 3:f
LDAUU =   0 1.5 # UEFF parameter. Automatic LDAUU table
LDAUJ =   0   0 # J parameter Automatic LDAUJ table