System = CoWO4 - H2O
Ionic relaxation
ISTART  = 1
NSW     = 50
NCORE   = 24
NSIM    = 12 
LWAVE   = .TRUE.
LCHARG  = .TRUE.
EDIFFG  =  -0.05
ISIF    = 2
LORBIT  = 11 
ALGO    = Fast
LREAL   = Auto 
KPAR    = 4             (number of nodes)
#NCORE  = 8             (determines how many cores work on one orbital) 
LVHAR   = .TRUE.
LVTOT   =  .TRUE.
PREC    = ACCURATE
GGA     = PS
ENCUT   = 500
EDIFF   = 1E-06
NELM    = 500
IBRION  = 2

DFT+U Calculation
LDAU    = .TRUE.        (Activate DFT+U)
LDATYPE =  2            (Dudarev, only U-J matters)
LDAUL   =  2    3   -1   -1       (Orbitals for each species)
LDAUU   =  5    5    0    0     (U for each species)
LDAUJ   =  0.6  0.6  0    0     (J for each species)
LMAXMIX =  4    6    0    0     (Mixing cut-off, 4-d, 6-f)
 
Collinear Magnetic Calculation
ISPIN      =  2        (Spin polarised DFT)
#MAGMOM    = 16*1 16*1 64*0        (Set this parameters manually)
LASPH      = .TRUE.    (Non-spherical elements, d/f convergence)
GGA_COMPAT = .FALSE.   (Apply spherical cutoff on gradient field)
VOSKOWN    =  1        (Enhances the magnetic moments and the magnetic energies)
LMAXMIX    =  4        (For d elements increase LMAXMIX to 4, f: LMAXMIX = 6)
 

 
