Global Parameters
ISTART =  1            (Read existing wavefunction, if there)
ISPIN  =  1            (Non-Spin polarised DFT)
# ICHARG =  11         (Non-self-consistent: GGA/LDA band structures)
LREAL  =  Auto       (Projection operators: automatic)
ENCUT  =  500        (Cut-off energy for plane wave basis set, in eV)

Lattice Relaxation
NSW    =  80          (number of ionic steps)
ISMEAR =  0            (gaussian smearing method )
SIGMA  =  0.05         (please check the width of the smearing)
IBRION =  2            (Algorithm: 0-MD, 1-Quasi-New, 2-CG)
ISIF   =  2            (optimize atomic coordinates and lattice parameters)
EDIFFG = -1.5E-02      (Ionic convergence, eV/A)
PREC   =  Accurate     (Precision level)
 
Electronic Relaxation
SIGMA  =  0.05         (Smearing value in eV, metals:0.2)
NELM   =  30           (Max electronic SCF steps)
NELMIN =  6            (Min electronic SCF steps)
EDIFF  =  1E-08        (SCF energy convergence, in eV)
# GGA  =  PS           (PBEsol exchange-correlation)
NELECT =    2445.0000


Parallelization
NSIM   = 4
NPAR   = 24
LPLANE = .TRUE.
LSCALU = .FALSE.
NCORE  = 4