NCORE = 8
KPAR=2
PSTRESS=0.001
IVDW=12
SYSTEM = local optimisation
PREC = Accurate 
ENCUT = 800.0
EDIFF = 1e-8
EDIFFG = -0.001
#KSPACING=0.30
IBRION = 2
ISIF = 3
NSW = 100
ISMEAR = 0 ; 
SIGMA = 0.01
POTIM = 0.1
NSIM=4
#Wavefunction and charge
LWAVE = FALSE
LCHARG = FALSE

