#Global Parameters
ISTART =  1            (Read existing wavefunction, if there)
ENCUT  =  400        (Cut-off energy for plane wave basis set, in eV)
PREC   =  Normal   (Precision level: Normal or Accurate, set Accurate when perform structure lattice relaxation calculation)
LWAVE  = F        (Write WAVECAR or not)
LCHARG = F        (Write CHGCAR or not)
ADDGRID= .TRUE.        (Increase grid, helps GGA convergence)


#Electronic Relaxation
ISMEAR =  0            (Gaussian smearing, metals:1)
SIGMA  =  0.05         (Smearing value in eV, metals:0.2)
NELM   =  60           (Max electronic SCF steps)
NELMIN =  4            (Min electronic SCF steps)
EDIFF  =  1E-04        (SCF energy convergence, in eV)
# MIXING_MODE = TF  (use Thomas-Fermi pre-mix)
# MIXING_ALPHA = 0.2  (Lowwer mix parameter)
# MIXING_BETA = 0.0001 
# MIXING_NB = 8
# LMAXMIX = 4
# ALGO = All

#Ionic Relaxation
NSW    =  500          (Max ionic steps)
IBRION =  2            (Algorithm: 0-MD, 1-Quasi-New, 2-CG)
ISIF   =  2            (Stress/relaxation: 2-Ions, 3-Shape/Ions/V, 4-Shape/Ions)
EDIFFG = -0.05        (Ionic convergence, eV/AA)


#KPOINT
KGAMMA=.TRUE.
KSPACING = 0.5  (default, lowwer this can increase accuracy)


#Parallel
#NCORE=
#KPAR=
#NPAR=
#NSIM=

