System = molecules 
ISTART = 0 
ICHARGE = 2 # default: 2 for ISTAR = 0
GGA = PE 

Electronic Relaxation
ENCUT = 450
EDIFF = 0.1E-06
LREAL = Auto #default: FALSE.
NELM = 100
#ISPIN = 2


Ionic relaxation
EDIFFG =  0.001
IBRION = 2 
NSW = 100
POTIM = 0.10

Electronic relaxation 2 (details)
ALGO = Fast
ISMEAR = 0
SIGMA = 0.010
#ISIF = 3 # only for lattice constant optimisation

Dipole correction:
#LDIPOL = .TRUE.
#IDIPOL = 3

Workfunction # Vacuum should be larger than 20 anstrum.
#LVTOT = .TRUE.

van der Waals:
#LVDW = .False. 
VDW:Cu C H O 
LVDW = .TRUE.
VDW_RADIUS = 40.0
VDW_SCALING = 0.75
#VDW_C6 = 2.74 1.75 0.14 0.70 
#VDW_R0 = 1.562 1.452 1.001 1.342 

files to write:
  NWRITE = 2 #This flag determines how much will be written to the file OUTCAR
  LWAVE  = .FALSE. ! WAVECAR
  LCHARG = .TRUE.  ! CHG / CHGCAR
  LELF   = .FALSE. ! LELFCAR elec loc func
  PARCHG = .FALSE. ! PARCHG  part charge