System = Adsorption
ISTART = 0 
GGA = PE 

Electronic Relaxation
ENCUT = 450
EDIFF = 1E-05
LREAL = Auto 
NELM = 100

ALGO = Fast
ISMEAR = 1
SIGMA = 0.1
ISIF = 2

ISPIN = 2
MAGMOM = 36*2. 1*0.0 2*0.0 2*0.0 

Dipole correction:
LDIPOL = .TRUE.
IDIPOL = 3

Ionic relaxation
EDIFFG =  -0.03
IBRION = 2 
POTIM = 0.05

LWAVE  = .FALSE. ! WAVECAR
LCHARG = .FALSE.  ! CHG / CHGCAR
LELF   = .FALSE. ! LELFCAR elec loc func
PARCHG = .FALSE. ! PARCHG  part charge






#VDW parameters:
LVDW   =   T
VDW_VERSION= 2
VDW_RADIUS = 40
VDW_SCALING = 0.75
VDW_C6 = 2.565 1.75 0.14 12.47 
VDW_R0 = 1.349 1.452 1.001 1.749 
NSW = 0
NCORE = 6
NWRITE = 2
