#General
 SYSTEM = 111 Au
 ISTART = 0
 ICHARG = 2
 GGA = PE

#Symmetry
# ISYM = 0

#Electronic Steps
 ISMEAR = 0
 SIGMA = 0.03
 ENCUT = 450
 EDIFF = 1E-6
 NELM = 150
 ALGO = Fast
 LREAL = Auto 

#Ionic (Geometry) Opt
 IBRION = 2
 ISIF = 2 # only atoms
 NSW = 500
 POTIM = 0.10
 EDIFFG = -0.025

#Dipole Correction
 LDIPOL = .TRUE.
 IDIPOL = 3

#Output
 LWAVE = .FALSE.
 LCHARG = .FALSE.

#van der Waals
 LVDW = .TRUE. 
 VDW_VERSION = 2 ; VDW_RADIUS = 40 ; VDW_SCALING = 0.75    
#Parameters    Au     Ru
 VDW_C6 =     7.308   #4.168 
 VDW_R0 =     1.823   #1.639 

#Parallelization
 NPAR = 4