general:
 SYSTEM =   bulk  # Put here the name of you system 
 ISTART =   0     # 0: new calculation, 2: read a previously generated WC
 ICHARG =   2     # 0: WC , 1: CHGCAR read from a previous calculation, 2: new calculation
 GGA    =   PE    # PE: PBE; pseudopotential you are using
 ISPIN  =   1     # 1 No spin ; 2 Yes spin

electronic steps:
 ENCUT  = 600     # Energy cutoff. Higher because you want the bulk to be fully converged.
 EDIFF  =   1E-6  # Threshold for energy difference between electronic steps / eV
 ISMEAR =   0     # Fermi smearing
 SIGMA  =   0.03  # Sigma
 ALGO   =   Fast  # Algorithm for electronic convergence
 LREAL  = Auto    # Parameter for electronic convergence
 NELM   = 100     # 40 Maximum number of electronic steps
 NELMIN =   5     #  2 Minimum number of electronic steps
 NELMDL =  -7     # -5 Minimum number of self-consistant electronic steps
 AMIX   =   0.10  # Converge parameters -> NOT TO BE CHANGED
 BMIX   =   0.01  # Converge parameters -> NOT TO BE CHANGED
 AMIN   =   0.10  # Converge parameters -> NOT TO BE CHANGED

ionic steps:
 IBRION =   2     # Overall minimum of energy
 ISIF   =   3     # Relaxation of atoms positions, cell shape and cell volume
 POTIM  =   0.15  # [Å²/eV] IBRION=3 & C-H-O: 0.017 # Ionic step for relaxation 
 EDIFFG =  -0.020 # [eV/Å ] relaxation: -0.015; neb: -0.050 Threshold for ionic step convergence
 NSW    = 100     # Maximum number of ionic steps allowed
 NFREE  = 2      # Ion displaced both in positive and negative direction: x +- dx

files to write:
 LWAVE  = F      # Not printing WAVECAR
 LCHARG = T	 # printing CHGCAR	
 LAECHG = T      # printing input for Bader charges analysis 
 NWRITE = 0      # Low verbosity of OUTCAR
 
parallelization
 KPAR = 1 ; NPAR = 12 ; NBANDS = 24 ; # Parallelization flags! To be changed!!!
