System = Adsorption
ISTART = 0 
GGA = PE 

Electronic Relaxation
ENCUT = 450
EDIFF = 1E-05
LREAL = Auto #default: FALSE.
NELM = 100
Ionic relaxation
EDIFFG =  -0.03

ALGO = Fast
ISMEAR = 1
SIGMA = 0.1

LDIPOL = .TRUE.
IDIPOL = 3

LWAVE  = .FALSE. 
LCHARG = .FALSE.
LELF   = .FALSE.
PARCHG = .FALSE.


IBRION = 1
POTIM  = 0.1
NSW = 500
NWRITE = 0


#VDW parameters:
LVDW   =   T
VDW_VERSION= 2
VDW_RADIUS = 40
VDW_SCALING = 0.75
VDW_C6 = 2.6263 7.84 0.14 1.75 0.70 
VDW_R0 = 1.562 1.705 1.001 1.452 1.342 

NCORE = 12