#NCORE = 16
NPAR=1
KPAR=9
PSTRESS=0.001
IVDW=12
SYSTEM = local optimisation
PREC = Accurate 
ENCUT = 800.0
EDIFF = 1e-8
#KSPACING=0.3
#SYMPREC=1e-4
IBRION = -1
ISIF = 3
NSW = 0
ISMEAR = 0 ; 
SIGMA = 0.01
#POTIM = 0.10
#Wavefunction and charge
LWAVE = TRUE
LCHARG = TRUE

