System = Adsorption
ISTART = 1 
GGA = PE 

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

ALGO = Fast
ISMEAR = 0
SIGMA = 0.01

EDIFFG =  -0.02
IBRION = 2 
NSW = 200
POTIM = 0.10

LWAVE  = .TRUE. ! WAVECAR
LCHARG = .FALSE.  ! CHG / CHGCAR
LELF   = .FALSE. ! LELFCAR elec loc func
PARCHG = .FALSE. ! PARCHG  part charge
NWRITE = 0

LSOLV  =   T
EPSINF =  27.73 
SURF_T =  2.408 
# BETA   =   1.3
# RHO0   =   0.00078


#VDW parameters:
LVDW   =   T
VDW_VERSION= 2
VDW_RADIUS = 40
VDW_SCALING = 0.75
VDW_C6 = 0.14 
VDW_R0 = 1.001