System  = Bulk Graphite

ISTART  = 0       #default
GGA     = PE      #PBE default

vdW default values stated exp; D3 Grimme
IVDW         = 11        
VDW_RADIUS   = 50.2
VDW_CNRADIUS = 20.0
     VDW_S6  = 1.0000
     VDW_S8  = 0.7220
     VDW_SR  = 1.2170
     rs18    = 1.0000
     alpha6  = 14.0000
     alpha8  = 16.0000
     k1-k3   = 16.0000  1.3333  -4.0000
 
NPAR    = 4      #c12 use 12; c24 use 4
#NCORE = 48

#Electronic
ISMEAR  = 0         #Gaussian
SIGMA   = 0.05      #small value for non-metals
PREC    = Normal    #default
ENCUT   = 450
LREAL   = Auto 
EDIFF   = 1E-5
NELM    = 200

#Geometry relaxation
NSW     = 400       
EDIFFG  = 1E-4      #if want to switch to forces use -0.01
IBRION  = 2     
POTIM   = 0.2
#ISIF    = 3 

#Projections and DOS
#NEDOS   = 1200
#EMIN    = -7
#EMAX    = 1
#LORBIT  =10

#Output
LWAVE    = .FALSE. #write WAVECAR
LCHARG   = .TRUE.  #write CHGCAR
LVTOT    = .FALSE. #write LOCPOT

ISPIN = 2

LDIPOL   = .TRUE.
IDIPOL   = 3
#MAGMOM = 66*1 4*1 1*5 1*1 2*1 2*1