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*1.0 1*0.0 2*0.0 2*0.0 

Dipole correction:
LDIPOL = .TRUE.
IDIPOL = 3

Ionic relaxation

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




 ## Neb Opt



## Freq Calc Params


## Dimer Calc Params
DIMER_DIST = 0.01
FINDIFF = 2
EDIFFG = -0.03
STEP_MAX = 0.10
MINROT = 0.0087266
STEP_SIZE = 0.01
#VDW parameters:
LVDW   =   T
VDW_VERSION= 2
VDW_RADIUS = 40
VDW_SCALING = 0.75
VDW_C6 = 2.6263 1.75 0.14 12.47 
VDW_R0 = 1.562 1.452 1.001 1.749 


## Freq Calc Params
IBRION = 5
POTIM = 0.015
NSW = 1
NFREE = 2
NWRITE = 2