general: 
  SYSTEM =   Surface-relaxation
  ISTART =   0     # 0: new, 2: read WC
  ICHARG =   2     # 0: WC , 1: CHGCAR, 2: new
  GGA    =   PE    # PE: PBE
  ISPIN  =   2 
  MAGMOM=10*0.1 19*0.1 14*1.0 20*0.1 24*1.0 1*0.1
  LORBIT = 11

electronic steps:
  ENCUT  = 450       
  EDIFF  =   1E-6 
  ISMEAR =   0      
  SIGMA  =   0.03  
  ALGO   =   All
  TIME   =   0.05 
  LREAL  =   Auto    
  NELM   =  250     # 40
  NELMIN =   5     #  2
  NELMDL =  -7     # -5

                                                     
files to write:                                        
  LWAVE  =   F     # WAVECAR
  LCHARG =   F     # CHG / CHGCAR
  LAECHG =   F
  NWRITE =   0     # Verbosity


#U
  LDAU     =   T
  LASPH    =   T

  LDAUTYPE =   2 # Dudarev approach
  LDAUL=-1 -1 2 -1 -1 -1
  LDAUU=0 0 5.5 0 0.0 0
  LDAUJ=0 0 0 0 0 0
                             

parallelization
  KPAR = 1 ; NPAR = 4 ; NSIM = 1 ; 
van der Waals:                                               
  LVDW   =   T                                               
  VDW_VERSION= 2 ; VDW_RADIUS = 40 ; VDW_SCALING = 0.75      
# Parameters:  F     H    Ni     O    Ni     C  
  VDW_C6 =    0.750 0.140 2.683 0.700 2.683 1.750
  VDW_R0 =    1.287 1.001 1.543 1.342 1.543 1.452

ISYM=0

ionic steps:
  IBRION =  -1     #
  NSW    = 1     #

# VASPsol Solvent Model - This corresponds to water
LSOL=.FALSE.
