SYSTEM = VAG
NPAR = 4
PREC = Accurate 
ENCUT = 600  # 800
EDIFF = 1e-4  # 1e-6
IBRION = 2 
ISIF = 8 
NSW = 300  # 200
ISMEAR = 0 ; SIGMA = 0.05 
POTIM = 0.05 
#No writing charge density and wavefunction 
LCHARG = FALSE 
LWAVE = FALSE 
#Target Pressure 
#PSTRESS = 100 
#Finer optimization 
EDIFFG = -0.05  # 1e-4
KSPACING = 0.7  # 0.25 
IVDW = 12
